CID 391349

Nsc690379

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C3=C(CCCC3)C=C(C2=O)C#N
InChI
InChI=1S/C17H17N3O3S/c1-12-6-8-15(9-7-12)24(22,23)19-20-16-5-3-2-4-13(16)10-14(11-18)17(20)21/h6-10,19H,2-5H2,1H3
InChIKey
IEGPLLMVMZNFTI-UHFFFAOYSA-N
Compound name
N-(3-cyano-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 187.8
[M+Na]+ 366.08828 198.2
[M-H]- 342.09178 192.7
[M+NH4]+ 361.13288 199.4
[M+K]+ 382.06222 191.2
[M+H-H2O]+ 326.09632 173.4
[M+HCOO]- 388.09726 198.7
[M+CH3COO]- 402.11291 220.2
[M+Na-2H]- 364.07373 190.4
[M]+ 343.09851 183.5
[M]- 343.09961 183.5
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.