CID 53378893

Kinase inhibitor

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CCOC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(NC2=O)N=CC=C3)C
InChI
InChI=1S/C17H17N3O3/c1-4-23-17(22)14-9(2)13(19-10(14)3)8-12-11-6-5-7-18-15(11)20-16(12)21/h5-8,19H,4H2,1-3H3,(H,18,20,21)/b12-8-
InChIKey
SFUKRUVPTZDCGH-WQLSENKSSA-N
Compound name
ethyl 2,4-dimethyl-5-[(Z)-(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 175.1
[M+Na]+ 334.11620 185.8
[M+NH4]+ 329.16080 180.0
[M+K]+ 350.09014 184.4
[M-H]- 310.11970 174.6
[M+Na-2H]- 332.10165 177.0
[M]+ 311.12643 176.0
[M]- 311.12753 176.0
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.