CID 3009160

4-chloro-n-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C17H15ClN2O4S2
SMILES
COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2O4S2/c1-23-12-5-8-16(24-2)14(9-12)15-10-25-17(19-15)20-26(21,22)13-6-3-11(18)4-7-13/h3-10H,1-2H3,(H,19,20)
InChIKey
CIPVLGLRFLTNER-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.01617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.02345 191.9
[M+Na]+ 433.00539 202.2
[M-H]- 409.00889 201.4
[M+NH4]+ 428.04999 204.5
[M+K]+ 448.97933 195.4
[M+H-H2O]+ 393.01343 185.1
[M+HCOO]- 455.01437 201.9
[M+CH3COO]- 469.03002 217.5
[M+Na-2H]- 430.99084 192.8
[M]+ 410.01562 200.4
[M]- 410.01672 200.4
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.