CID 472412

2-methyl-8-methoxy-4-quinolinyl-sulfaphenazole

Structural Information

Molecular Formula
C26H23N5O3S
SMILES
CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=NN4C5=CC=CC=C5
InChI
InChI=1S/C26H23N5O3S/c1-18-17-23(22-9-6-10-24(34-2)26(22)28-18)29-19-11-13-21(14-12-19)35(32,33)30-25-15-16-27-31(25)20-7-4-3-5-8-20/h3-17,30H,1-2H3,(H,28,29)
InChIKey
GKMUZCMCCUJYNZ-UHFFFAOYSA-N
Compound name
4-[(8-methoxy-2-methylquinolin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.15216 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.15944 215.2
[M+Na]+ 508.14138 224.5
[M-H]- 484.14488 226.1
[M+NH4]+ 503.18598 220.8
[M+K]+ 524.11532 216.6
[M+H-H2O]+ 468.14942 203.8
[M+HCOO]- 530.15036 232.2
[M+CH3COO]- 544.16601 223.5
[M+Na-2H]- 506.12683 220.3
[M]+ 485.15161 220.4
[M]- 485.15271 220.4
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.