CID 492284

N-6-methyl-4-quinaldyl-sulphaphenazol

Structural Information

Molecular Formula
C25H21N5O2S
SMILES
CC1=CC2=C(C=CN=C2C=C1)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=NN4C5=CC=CC=C5
InChI
InChI=1S/C25H21N5O2S/c1-18-7-12-23-22(17-18)24(13-15-26-23)28-19-8-10-21(11-9-19)33(31,32)29-25-14-16-27-30(25)20-5-3-2-4-6-20/h2-17,29H,1H3,(H,26,28)
InChIKey
DVBWWNZRHMZHQC-UHFFFAOYSA-N
Compound name
4-[(6-methylquinolin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.1416 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.14888 207.0
[M+Na]+ 478.13082 216.5
[M-H]- 454.13432 217.8
[M+NH4]+ 473.17542 213.8
[M+K]+ 494.10476 207.8
[M+H-H2O]+ 438.13886 195.9
[M+HCOO]- 500.13980 224.3
[M+CH3COO]- 514.15545 215.8
[M+Na-2H]- 476.11627 213.0
[M]+ 455.14105 210.3
[M]- 455.14215 210.3
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.