CID 472417

2-methyl-8-methoxy-4-quinolinyl-sulfisomidine

Structural Information

Molecular Formula
C23H23N5O3S
SMILES
CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC(=NC(=C4)C)C
InChI
InChI=1S/C23H23N5O3S/c1-14-12-20(19-6-5-7-21(31-4)23(19)25-14)27-17-8-10-18(11-9-17)32(29,30)28-22-13-15(2)24-16(3)26-22/h5-13H,1-4H3,(H,25,27)(H,24,26,28)
InChIKey
YTZLXFPWBKURNP-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylpyrimidin-4-yl)-4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.15216 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15944 209.3
[M+Na]+ 472.14138 218.4
[M-H]- 448.14488 216.5
[M+NH4]+ 467.18598 215.0
[M+K]+ 488.11532 211.1
[M+H-H2O]+ 432.14942 197.8
[M+HCOO]- 494.15036 223.6
[M+CH3COO]- 508.16601 217.3
[M+Na-2H]- 470.12683 214.5
[M]+ 449.15161 214.1
[M]- 449.15271 214.1
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.