CID 391346

Nsc690376

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
C1CCC2=C(C1)C=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N
InChI
InChI=1S/C16H15N3O3S/c17-11-13-10-12-6-4-5-9-15(12)19(16(13)20)18-23(21,22)14-7-2-1-3-8-14/h1-3,7-8,10,18H,4-6,9H2
InChIKey
ZLZLUBXVYNWNKX-UHFFFAOYSA-N
Compound name
N-(3-cyano-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 183.7
[M+Na]+ 352.07262 193.9
[M-H]- 328.07612 188.4
[M+NH4]+ 347.11722 195.6
[M+K]+ 368.04656 186.9
[M+H-H2O]+ 312.08066 169.3
[M+HCOO]- 374.08160 195.0
[M+CH3COO]- 388.09725 216.4
[M+Na-2H]- 350.05807 187.4
[M]+ 329.08285 178.7
[M]- 329.08395 178.7
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.