CID 15958981

(2-carbamoyl-5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-phenyl-phosphinic acid methyl ester

Structural Information

Molecular Formula
C15H13ClN3O3P
SMILES
COP(=O)(C1=CC=CC=C1)C2=C(NC3=C2C=C(C=N3)Cl)C(=O)N
InChI
InChI=1S/C15H13ClN3O3P/c1-22-23(21,10-5-3-2-4-6-10)13-11-7-9(16)8-18-15(11)19-12(13)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19)
InChIKey
SFICTKMWEBNSQC-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0383 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.04558 177.0
[M+Na]+ 372.02752 186.6
[M-H]- 348.03102 180.2
[M+NH4]+ 367.07212 190.2
[M+K]+ 388.00146 180.8
[M+H-H2O]+ 332.03556 167.0
[M+HCOO]- 394.03650 197.7
[M+CH3COO]- 408.05215 209.6
[M+Na-2H]- 370.01297 178.3
[M]+ 349.03775 180.5
[M]- 349.03885 180.5
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.