CID 52908301

2-chloro-n-({4-[(pyrrolidin-1-yl)methyl]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]+ 267.125876 163.2
[M+Na]+ 289.107818 168.5
[M-H]- 265.111324 167.5
[M+NH4]+ 284.152423 180.3
[M+K]+ 305.081758 163.5
[M+H-H2O]+ 249.115860 155.4
[M+HCOO]- 311.116801 179.9
[M+CH3COO]- 325.132451 196.3
[M+Na-2H]- 287.093266 164.6
[M]+ 266.11805142 162.4
[M]- 266.11914858 162.4
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