CID 492285

N-6-chloro-4-quinaldyl-sulphaphenazol

Structural Information

Molecular Formula
C24H18ClN5O2S
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)Cl
InChI
InChI=1S/C24H18ClN5O2S/c25-17-6-11-22-21(16-17)23(12-14-26-22)28-18-7-9-20(10-8-18)33(31,32)29-24-13-15-27-30(24)19-4-2-1-3-5-19/h1-16,29H,(H,26,28)
InChIKey
XJZKNQAGYCGWRG-UHFFFAOYSA-N
Compound name
4-[(6-chloroquinolin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.08698 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.09426 209.3
[M+Na]+ 498.07620 219.8
[M-H]- 474.07970 220.1
[M+NH4]+ 493.12080 216.2
[M+K]+ 514.05014 210.5
[M+H-H2O]+ 458.08424 198.5
[M+HCOO]- 520.08518 222.4
[M+CH3COO]- 534.10083 218.1
[M+Na-2H]- 496.06165 215.3
[M]+ 475.08643 214.7
[M]- 475.08753 214.7
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.