CID 3150710

N-benzyl-2-chloro-n-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula
C18H14ClFN2OS
SMILES
C1=CC=C(C=C1)CN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)CCl
InChI
InChI=1S/C18H14ClFN2OS/c19-10-17(23)22(11-13-4-2-1-3-5-13)18-21-16(12-24-18)14-6-8-15(20)9-7-14/h1-9,12H,10-11H2
InChIKey
BFLYBAQCVHXCBZ-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.04993 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05721 181.0
[M+Na]+ 383.03915 189.6
[M-H]- 359.04265 189.9
[M+NH4]+ 378.08375 195.7
[M+K]+ 399.01309 183.2
[M+H-H2O]+ 343.04719 171.7
[M+HCOO]- 405.04813 195.3
[M+CH3COO]- 419.06378 192.0
[M+Na-2H]- 381.02460 180.2
[M]+ 360.04938 185.4
[M]- 360.05048 185.4
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.