CID 472405

2,5-dimethyl-4-quinolinyl-sulfadiazine

Structural Information

Molecular Formula
C21H19N5O2S
SMILES
CC1=C2C(=CC=C1)N=C(C=C2NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C
InChI
InChI=1S/C21H19N5O2S/c1-14-5-3-6-18-20(14)19(13-15(2)24-18)25-16-7-9-17(10-8-16)29(27,28)26-21-22-11-4-12-23-21/h3-13H,1-2H3,(H,24,25)(H,22,23,26)
InChIKey
IYVGUWKZEBMBNX-UHFFFAOYSA-N
Compound name
4-[(2,5-dimethylquinolin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12595 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13323 195.5
[M+Na]+ 428.11517 204.4
[M-H]- 404.11867 202.4
[M+NH4]+ 423.15977 202.7
[M+K]+ 444.08911 196.4
[M+H-H2O]+ 388.12321 184.4
[M+HCOO]- 450.12415 210.5
[M+CH3COO]- 464.13980 204.1
[M+Na-2H]- 426.10062 203.0
[M]+ 405.12540 197.6
[M]- 405.12650 197.6
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.