CID 52908213

1-benzyl-1h,6h,7h-pyrrolo[2,3-c]pyridin-7-one

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C(C=C1)CN2C=CC3=C2C(=O)NC=C3
InChI
InChI=1S/C14H12N2O/c17-14-13-12(6-8-15-14)7-9-16(13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
InChIKey
TYUSQBYDXATKFI-UHFFFAOYSA-N
Compound name
1-benzyl-6H-pyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 147.5
[M+Na]+ 247.08418 158.3
[M-H]- 223.08768 152.1
[M+NH4]+ 242.12878 165.3
[M+K]+ 263.05812 152.3
[M+H-H2O]+ 207.09222 139.5
[M+HCOO]- 269.09316 170.2
[M+CH3COO]- 283.10881 160.7
[M+Na-2H]- 245.06963 155.0
[M]+ 224.09441 148.3
[M]- 224.09551 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.