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]+ 331.12078 178.0
[M+Na]+ 353.10272 182.8
[M-H]- 329.10622 185.5
[M+NH4]+ 348.14732 192.3
[M+K]+ 369.07666 179.0
[M+H-H2O]+ 313.11076 170.2
[M+HCOO]- 375.11170 197.0
[M+CH3COO]- 389.12735 215.8
[M+Na-2H]- 351.08817 179.2
[M]+ 330.11295 180.7
[M]- 330.11405 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.