CID 216748

4-((2-(phenylmethyl)phenyl)methyl)-1-piperazinepropanamide maleate

Structural Information

Molecular Formula
C21H27N3O
SMILES
C1CN(CCN1CCC(=O)N)CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C21H27N3O/c22-21(25)10-11-23-12-14-24(15-13-23)17-20-9-5-4-8-19(20)16-18-6-2-1-3-7-18/h1-9H,10-17H2,(H2,22,25)
InChIKey
FCSSKMKUYFDYGB-UHFFFAOYSA-N
Compound name
3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.4
[M+Na]+ 360.20464 186.9
[M-H]- 336.20814 189.0
[M+NH4]+ 355.24924 193.6
[M+K]+ 376.17858 180.9
[M+H-H2O]+ 320.21268 172.8
[M+HCOO]- 382.21362 200.4
[M+CH3COO]- 396.22927 213.9
[M+Na-2H]- 358.19009 185.1
[M]+ 337.21487 179.0
[M]- 337.21597 179.0
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.