CID 391348

Nsc690378

Structural Information

Molecular Formula
C15H13N3O3S
SMILES
C1CC2=C(C1)N(C(=O)C(=C2)C#N)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O3S/c16-10-12-9-11-5-4-8-14(11)18(15(12)19)17-22(20,21)13-6-2-1-3-7-13/h1-3,6-7,9,17H,4-5,8H2
InChIKey
XVHWIMHBJBPXPD-UHFFFAOYSA-N
Compound name
N-(3-cyano-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06775 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07503 182.4
[M+Na]+ 338.05697 194.0
[M-H]- 314.06047 187.9
[M+NH4]+ 333.10157 196.7
[M+K]+ 354.03091 187.2
[M+H-H2O]+ 298.06501 168.7
[M+HCOO]- 360.06595 196.0
[M+CH3COO]- 374.08160 213.1
[M+Na-2H]- 336.04242 184.8
[M]+ 315.06720 179.3
[M]- 315.06830 179.3
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.