PubChemLite - 618383-73-6 (C19H22N6O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C(=O)N

InChI

InChI=1S/C19H22N6O3/c1-12-3-2-4-25-17(12)22-18-14(19(25)27)11-13(16(21)26)15(20)24(18)6-5-23-7-9-28-10-8-23/h2-4,11,20H,5-10H2,1H3,(H2,21,26)

InChIKey

SQADILXUYFYXCF-UHFFFAOYSA-N

Compound name

6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-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]+	383.18260	194.7
[M+Na]+	405.16454	203.7
[M-H]-	381.16804	198.3
[M+NH4]+	400.20914	200.7
[M+K]+	421.13848	197.9
[M+H-H2O]+	365.17258	182.6
[M+HCOO]-	427.17352	208.6
[M+CH3COO]-	441.18917	202.6
[M+Na-2H]-	403.14999	199.2
[M]+	382.17477	194.2
[M]-	382.17587	194.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.18260

194.7

[M+Na]+

405.16454

203.7

[M-H]-

381.16804

198.3

[M+NH4]+

400.20914

200.7

[M+K]+

421.13848

197.9

[M+H-H2O]+

365.17258

182.6

[M+HCOO]-

427.17352

208.6

[M+CH3COO]-

441.18917

202.6

[M+Na-2H]-

403.14999

199.2

[M]+

382.17477

194.2

[M]-

382.17587

194.2

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

618383-73-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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