CID 988262

4-chloro-n-(5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C17H11Cl3N2OS
SMILES
C1=CC(=C(C(=C1)Cl)Cl)CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11Cl3N2OS/c18-12-6-4-10(5-7-12)16(23)22-17-21-9-13(24-17)8-11-2-1-3-14(19)15(11)20/h1-7,9H,8H2,(H,21,22,23)
InChIKey
HCIDDLBWQRQQRZ-UHFFFAOYSA-N
Compound name
4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.96576 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.97304 186.5
[M+Na]+ 418.95498 197.0
[M-H]- 394.95848 194.1
[M+NH4]+ 413.99958 200.2
[M+K]+ 434.92892 188.8
[M+H-H2O]+ 378.96302 180.0
[M+HCOO]- 440.96396 191.0
[M+CH3COO]- 454.97961 196.5
[M+Na-2H]- 416.94043 184.3
[M]+ 395.96521 192.3
[M]- 395.96631 192.3
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.