CID 342811

Nsc380696

Structural Information

Molecular Formula
C19H15ClN4O3S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C19H15ClN4O3S/c1-12-10-19(23-27-12)24-28(25,26)15-5-3-14(4-6-15)22-17-8-9-21-18-11-13(20)2-7-16(17)18/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKey
DSZCHOSDUNNHMH-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.05533 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06261 194.9
[M+Na]+ 437.04455 206.5
[M-H]- 413.04805 205.2
[M+NH4]+ 432.08915 205.1
[M+K]+ 453.01849 200.2
[M+H-H2O]+ 397.05259 186.4
[M+HCOO]- 459.05353 209.2
[M+CH3COO]- 473.06918 205.7
[M+Na-2H]- 435.03000 201.1
[M]+ 414.05478 202.7
[M]- 414.05588 202.7
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.