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
C19H22N6O3
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

compound 2d structure
1
Annotation Hits

4
References

37
Patents

382.17532 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.