CID 2548547

1802326-66-4

Structural Information

Molecular Formula
C17H17ClN2O2
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKey
MWDVCHRYCKXEBY-LBPRGKRZSA-N
Compound name
3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4710
Patents

316.09787 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10515 173.5
[M+Na]+ 339.08709 178.6
[M-H]- 315.09059 179.7
[M+NH4]+ 334.13169 187.7
[M+K]+ 355.06103 173.6
[M+H-H2O]+ 299.09513 166.0
[M+HCOO]- 361.09607 192.3
[M+CH3COO]- 375.11172 209.5
[M+Na-2H]- 337.07254 175.9
[M]+ 316.09732 174.5
[M]- 316.09842 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe