PubChemLite - 1-ethyl-n-(2-furylmethyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C20H19N5O3)

Structural Information

Molecular Formula

SMILES

CCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CO3)C(=O)N4C=CC=C(C4=N2)C

InChI

InChI=1S/C20H19N5O3/c1-3-24-16(21)14(19(26)22-11-13-7-5-9-28-13)10-15-18(24)23-17-12(2)6-4-8-25(17)20(15)27/h4-10,21H,3,11H2,1-2H3,(H,22,26)

InChIKey

HZIIEPWVJGUUGM-UHFFFAOYSA-N

Compound name

7-ethyl-N-(furan-2-ylmethyl)-6-imino-11-methyl-2-oxo-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]+	378.15608	189.5
[M+Na]+	400.13802	204.6
[M+NH4]+	395.18262	195.0
[M+K]+	416.11196	199.7
[M-H]-	376.14152	194.4
[M+Na-2H]-	398.12347	195.1
[M]+	377.14825	192.9
[M]-	377.14935	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

378.15608

189.5

[M+Na]+

400.13802

204.6

[M+NH4]+

395.18262

195.0

[M+K]+

416.11196

199.7

[M-H]-

376.14152

194.4

[M+Na-2H]-

398.12347

195.1

[M]+

377.14825

192.9

[M]-

377.14935

192.9

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

1-ethyl-n-(2-furylmethyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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