CID 50987514

N-{3-[1-(2-chloro-n-methylacetamido)ethyl]phenyl}benzamide

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=O)CCl
InChI
InChI=1S/C18H19ClN2O2/c1-13(21(2)17(22)12-19)15-9-6-10-16(11-15)20-18(23)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKey
FILFCVOZDJMQEX-UHFFFAOYSA-N
Compound name
N-[3-[1-[(2-chloroacetyl)-methylamino]ethyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.120776 178.0
[M+Na]+ 353.102718 182.8
[M-H]- 329.106224 185.5
[M+NH4]+ 348.147323 192.3
[M+K]+ 369.076658 179.0
[M+H-H2O]+ 313.110760 170.2
[M+HCOO]- 375.111701 197.0
[M+CH3COO]- 389.127351 215.8
[M+Na-2H]- 351.088166 179.2
[M]+ 330.11295142 180.7
[M]- 330.11404858 180.7
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.