CID 91827373

Ni-57

Structural Information

Molecular Formula
C19H17N3O4S
SMILES
CC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C=C3)C#N)OC)N(C1=O)C
InChI
InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
InChIKey
UEMQPCYDWCSVCU-UHFFFAOYSA-N
Compound name
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

32
Patents

383.09396 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.101236 199.4
[M+Na]+ 406.083178 211.6
[M-H]- 382.086684 205.0
[M+NH4]+ 401.127783 209.8
[M+K]+ 422.057118 205.1
[M+H-H2O]+ 366.091220 184.5
[M+HCOO]- 428.092161 212.1
[M+CH3COO]- 442.107811 229.1
[M+Na-2H]- 404.068626 201.4
[M]+ 383.09341142 199.8
[M]- 383.09450858 199.8
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

patents stripe