CID 3066308

109936-63-2

Structural Information

Molecular Formula
C19H20ClNO2
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNO2/c20-17-10-8-16(9-11-17)19(22)23-18(14-21-12-4-5-13-21)15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-14H2
InChIKey
PTXQKBXOWYSFQW-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11826 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.125536 178.4
[M+Na]+ 352.107478 183.2
[M-H]- 328.110984 185.6
[M+NH4]+ 347.152083 192.5
[M+K]+ 368.081418 177.7
[M+H-H2O]+ 312.115520 169.3
[M+HCOO]- 374.116461 192.9
[M+CH3COO]- 388.132111 205.0
[M+Na-2H]- 350.092926 177.7
[M]+ 329.11771142 178.4
[M]- 329.11880858 178.4
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

No patent data available for this compound.