CID 472407

2-methyl-8-methoxy-4-quinolinyl-sulfadiazine

Structural Information

Molecular Formula
C21H19N5O3S
SMILES
CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4
InChI
InChI=1S/C21H19N5O3S/c1-14-13-18(17-5-3-6-19(29-2)20(17)24-14)25-15-7-9-16(10-8-15)30(27,28)26-21-22-11-4-12-23-21/h3-13H,1-2H3,(H,24,25)(H,22,23,26)
InChIKey
RSTQYNMBKDGXPU-UHFFFAOYSA-N
Compound name
4-[(8-methoxy-2-methylquinolin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12813 198.1
[M+Na]+ 444.11007 206.7
[M-H]- 420.11357 205.0
[M+NH4]+ 439.15467 204.5
[M+K]+ 460.08401 199.5
[M+H-H2O]+ 404.11811 186.8
[M+HCOO]- 466.11905 213.3
[M+CH3COO]- 480.13470 206.6
[M+Na-2H]- 442.09552 205.9
[M]+ 421.12030 201.5
[M]- 421.12140 201.5
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.