CID 472413

2-methyl-6-ethoxy-4-quinolinyl-sulfaphenazole

Structural Information

Molecular Formula
C27H25N5O3S
SMILES
CCOC1=CC2=C(C=C(N=C2C=C1)C)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=NN4C5=CC=CC=C5
InChI
InChI=1S/C27H25N5O3S/c1-3-35-22-11-14-25-24(18-22)26(17-19(2)29-25)30-20-9-12-23(13-10-20)36(33,34)31-27-15-16-28-32(27)21-7-5-4-6-8-21/h4-18,31H,3H2,1-2H3,(H,29,30)
InChIKey
IGXYZLOGMNBGMG-UHFFFAOYSA-N
Compound name
4-[(6-ethoxy-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

499.16782 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.17510 219.1
[M+Na]+ 522.15704 227.9
[M-H]- 498.16054 229.8
[M+NH4]+ 517.20164 224.1
[M+K]+ 538.13098 219.8
[M+H-H2O]+ 482.16508 207.5
[M+HCOO]- 544.16602 235.7
[M+CH3COO]- 558.18167 227.0
[M+Na-2H]- 520.14249 223.8
[M]+ 499.16727 224.6
[M]- 499.16837 224.6
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.