CID 1741253

2-(2,4-dimethoxyphenyl)-n-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

Structural Information

Molecular Formula
C27H22N4O5S2
SMILES
COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)OC
InChI
InChI=1S/C27H22N4O5S2/c1-35-18-9-12-21(25(15-18)36-2)24-16-22(20-5-3-4-6-23(20)30-24)26(32)29-17-7-10-19(11-8-17)38(33,34)31-27-28-13-14-37-27/h3-16H,1-2H3,(H,28,31)(H,29,32)
InChIKey
WMCAUUZZUFVROD-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.10315 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.11043 225.7
[M+Na]+ 569.09237 233.6
[M-H]- 545.09587 236.8
[M+NH4]+ 564.13697 230.1
[M+K]+ 585.06631 226.7
[M+H-H2O]+ 529.10041 215.9
[M+HCOO]- 591.10135 238.2
[M+CH3COO]- 605.11700 232.8
[M+Na-2H]- 567.07782 230.1
[M]+ 546.10260 233.0
[M]- 546.10370 233.0
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.