CID 1582687

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

Structural Information

Molecular Formula
C25H18N4O3S2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5
InChI
InChI=1S/C25H18N4O3S2/c30-24(27-18-10-12-19(13-11-18)34(31,32)29-25-26-14-15-33-25)21-16-23(17-6-2-1-3-7-17)28-22-9-5-4-8-20(21)22/h1-16H,(H,26,29)(H,27,30)
InChIKey
HMTRBVUBZDRDQO-UHFFFAOYSA-N
Compound name
2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3
Patents

486.08203 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08931 210.5
[M+Na]+ 509.07125 219.2
[M-H]- 485.07475 221.6
[M+NH4]+ 504.11585 217.5
[M+K]+ 525.04519 210.8
[M+H-H2O]+ 469.07929 201.4
[M+HCOO]- 531.08023 223.7
[M+CH3COO]- 545.09588 218.6
[M+Na-2H]- 507.05670 216.3
[M]+ 486.08148 214.1
[M]- 486.08258 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

literature stripe

Patent stripe

patents stripe