CID 391351

Nsc690381

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C3=C(CCC3)C=C(C2=O)C#N
InChI
InChI=1S/C16H15N3O3S/c1-11-5-7-14(8-6-11)23(21,22)18-19-15-4-2-3-12(15)9-13(10-17)16(19)20/h5-9,18H,2-4H2,1H3
InChIKey
VIJQPJNYXRNTLN-UHFFFAOYSA-N
Compound name
N-(3-cyano-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0834 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.090676 186.3
[M+Na]+ 352.072618 198.2
[M-H]- 328.076124 192.1
[M+NH4]+ 347.117223 200.4
[M+K]+ 368.046558 191.4
[M+H-H2O]+ 312.080660 172.8
[M+HCOO]- 374.081601 199.7
[M+CH3COO]- 388.097251 216.9
[M+Na-2H]- 350.058066 187.8
[M]+ 329.08285142 183.9
[M]- 329.08394858 183.9
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.