CID 10134493

N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Structural Information

Molecular Formula

SMILES

CCNC(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NOC)C

InChI

InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23)

InChIKey

ZZTMFGIGOADCFX-UHFFFAOYSA-N

Compound name

N-ethyl-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Related CIDs

2D Structure

1
Annotation Hits: 4
References: 33
Patents: 382.17532 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

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	190.9
[M+Na]+	405.16454	198.8
[M-H]-	381.16804	196.1
[M+NH4]+	400.20914	200.9
[M+K]+	421.13848	194.6
[M+H-H2O]+	365.17258	180.6
[M+HCOO]-	427.17352	213.5
[M+CH3COO]-	441.18917	228.9
[M+Na-2H]-	403.14999	194.1
[M]+	382.17477	195.6
[M]-	382.17587	195.6

Literature stripe

Patent stripe