CID 52908301

2-chloro-n-{[4-(pyrrolidin-1-ylmethyl)phenyl]methyl}acetamide hydrochloride

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)CCl
InChI
InChI=1S/C14H19ClN2O/c15-9-14(18)16-10-12-3-5-13(6-4-12)11-17-7-1-2-8-17/h3-6H,1-2,7-11H2,(H,16,18)
InChIKey
KXLMZVGRJMNZHI-UHFFFAOYSA-N
Compound name
2-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.1186 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 162.0
[M+Na]+ 289.10782 173.0
[M+NH4]+ 284.15242 170.2
[M+K]+ 305.08176 167.1
[M-H]- 265.11132 165.3
[M+Na-2H]- 287.09327 168.2
[M]+ 266.11805 164.6
[M]- 266.11915 164.6
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