PubChemLite - 2-imino-5-oxo-n-(2-phenylethyl)-1-propyl-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C23H23N5O2)

Structural Information

Molecular Formula

SMILES

CCCN1C2=C(C=C(C1=N)C(=O)NCCC3=CC=CC=C3)C(=O)N4C=CC=CC4=N2

InChI

InChI=1S/C23H23N5O2/c1-2-13-28-20(24)17(22(29)25-12-11-16-8-4-3-5-9-16)15-18-21(28)26-19-10-6-7-14-27(19)23(18)30/h3-10,14-15,24H,2,11-13H2,1H3,(H,25,29)

InChIKey

KREYZCNUPJKCGI-UHFFFAOYSA-N

Compound name

6-imino-2-oxo-N-(2-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	402.19246	198.3
[M+Na]+	424.17440	207.4
[M-H]-	400.17790	203.1
[M+NH4]+	419.21900	206.4
[M+K]+	440.14834	199.3
[M+H-H2O]+	384.18244	186.2
[M+HCOO]-	446.18338	217.8
[M+CH3COO]-	460.19903	206.9
[M+Na-2H]-	422.15985	205.3
[M]+	401.18463	201.1
[M]-	401.18573	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.19246

198.3

[M+Na]+

424.17440

207.4

[M-H]-

400.17790

203.1

[M+NH4]+

419.21900

206.4

[M+K]+

440.14834

199.3

[M+H-H2O]+

384.18244

186.2

[M+HCOO]-

446.18338

217.8

[M+CH3COO]-

460.19903

206.9

[M+Na-2H]-

422.15985

205.3

[M]+

401.18463

201.1

[M]-

401.18573

201.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-imino-5-oxo-n-(2-phenylethyl)-1-propyl-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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