CID 3646448

3-chloro-n-(diphenylmethyl)propanamide

Structural Information

Molecular Formula
C16H16ClNO
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCCl
InChI
InChI=1S/C16H16ClNO/c17-12-11-15(19)18-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,18,19)
InChIKey
BMSOFUFZCCLRFJ-UHFFFAOYSA-N
Compound name
N-benzhydryl-3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09204 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09932 162.7
[M+Na]+ 296.08126 168.2
[M-H]- 272.08476 168.5
[M+NH4]+ 291.12586 178.8
[M+K]+ 312.05520 162.7
[M+H-H2O]+ 256.08930 155.5
[M+HCOO]- 318.09024 181.3
[M+CH3COO]- 332.10589 198.8
[M+Na-2H]- 294.06671 167.1
[M]+ 273.09149 163.5
[M]- 273.09259 163.5
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.