CID 988277

N-[5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl]-4-methylbenzamide

Structural Information

Molecular Formula
C18H14Cl2N2OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl2N2OS/c1-11-2-4-12(5-3-11)17(23)22-18-21-10-15(24-18)9-13-8-14(19)6-7-16(13)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKey
KKEFHHMXQCJZAV-UHFFFAOYSA-N
Compound name
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0204 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02768 185.2
[M+Na]+ 399.00962 195.6
[M-H]- 375.01312 194.0
[M+NH4]+ 394.05422 199.7
[M+K]+ 414.98356 187.4
[M+H-H2O]+ 359.01766 178.1
[M+HCOO]- 421.01860 194.8
[M+CH3COO]- 435.03425 196.0
[M+Na-2H]- 396.99507 183.5
[M]+ 376.01985 191.2
[M]- 376.02095 191.2
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.