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]+ 330.09068 186.3
[M+Na]+ 352.07262 198.2
[M-H]- 328.07612 192.1
[M+NH4]+ 347.11722 200.4
[M+K]+ 368.04656 191.4
[M+H-H2O]+ 312.08066 172.8
[M+HCOO]- 374.08160 199.7
[M+CH3COO]- 388.09725 216.9
[M+Na-2H]- 350.05807 187.8
[M]+ 329.08285 183.9
[M]- 329.08395 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.