CID 472409

2,8-dimethyl-4-quinolinyl-sulfaphenazole

Structural Information

Molecular Formula
C26H23N5O2S
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=NN4C5=CC=CC=C5
InChI
InChI=1S/C26H23N5O2S/c1-18-7-6-10-23-24(17-19(2)28-26(18)23)29-20-11-13-22(14-12-20)34(32,33)30-25-15-16-27-31(25)21-8-4-3-5-9-21/h3-17,30H,1-2H3,(H,28,29)
InChIKey
OZJNLLBQTFNDGZ-UHFFFAOYSA-N
Compound name
4-[(2,8-dimethylquinolin-4-yl)amino]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.15726 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.16454 212.7
[M+Na]+ 492.14648 222.5
[M-H]- 468.14998 223.7
[M+NH4]+ 487.19108 219.2
[M+K]+ 508.12042 213.7
[M+H-H2O]+ 452.15452 201.5
[M+HCOO]- 514.15546 229.6
[M+CH3COO]- 528.17111 221.3
[M+Na-2H]- 490.13193 217.4
[M]+ 469.15671 216.7
[M]- 469.15781 216.7
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.