CID 2118132

2-chloro-n-(3,3-diphenylpropyl)acetamide

Structural Information

Molecular Formula
C17H18ClNO
SMILES
C1=CC=C(C=C1)C(CCNC(=O)CCl)C2=CC=CC=C2
InChI
InChI=1S/C17H18ClNO/c18-13-17(20)19-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKey
DSZCDKTVMBGLGD-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,3-diphenylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

287.1077 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11498 167.4
[M+Na]+ 310.09692 172.4
[M-H]- 286.10042 173.0
[M+NH4]+ 305.14152 182.9
[M+K]+ 326.07086 166.6
[M+H-H2O]+ 270.10496 159.9
[M+HCOO]- 332.10590 185.6
[M+CH3COO]- 346.12155 201.8
[M+Na-2H]- 308.08237 171.2
[M]+ 287.10715 168.5
[M]- 287.10825 168.5
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

patents stripe