CID 3079180

124500-17-0

Structural Information

Molecular Formula
C22H27ClN2O2
SMILES
C1CCN(C1)CC(CC(C2=CC=C(C=C2)Cl)O)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C22H27ClN2O2/c23-20-10-8-18(9-11-20)21(26)14-19(16-25-12-4-5-13-25)22(27)24-15-17-6-2-1-3-7-17/h1-3,6-11,19,21,26H,4-5,12-16H2,(H,24,27)
InChIKey
BPXPBGADJORLMP-UHFFFAOYSA-N
Compound name
N-benzyl-4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17612 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18340 194.3
[M+Na]+ 409.16534 196.1
[M-H]- 385.16884 199.7
[M+NH4]+ 404.20994 205.0
[M+K]+ 425.13928 189.8
[M+H-H2O]+ 369.17338 185.0
[M+HCOO]- 431.17432 206.5
[M+CH3COO]- 445.18997 217.2
[M+Na-2H]- 407.15079 191.4
[M]+ 386.17557 192.4
[M]- 386.17667 192.4
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.