CID 3857136

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-n-(3,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C19H16BrClN2OS
SMILES
CC1=CC(=CC(=C1)N(C2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)CCl)C
InChI
InChI=1S/C19H16BrClN2OS/c1-12-7-13(2)9-16(8-12)23(18(24)10-21)19-22-17(11-25-19)14-3-5-15(20)6-4-14/h3-9,11H,10H2,1-2H3
InChIKey
YOJJLCDFNMBGOE-UHFFFAOYSA-N
Compound name
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

433.98553 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.99281 185.5
[M+Na]+ 456.97475 198.4
[M-H]- 432.97825 198.5
[M+NH4]+ 452.01935 202.0
[M+K]+ 472.94869 184.5
[M+H-H2O]+ 416.98279 184.3
[M+HCOO]- 478.98373 198.5
[M+CH3COO]- 492.99938 198.9
[M+Na-2H]- 454.96020 185.6
[M]+ 433.98498 210.2
[M]- 433.98608 210.2
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

patents stripe