CID 3067395

N,n-dimethyl-gamma-phenyl-4-(phenylmethyl)-1-piperazinepropanamine maleate (1:3)

Structural Information

Molecular Formula
C22H31N3
SMILES
CN(C)CCC(C1=CC=CC=C1)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H31N3/c1-23(2)14-13-22(21-11-7-4-8-12-21)25-17-15-24(16-18-25)19-20-9-5-3-6-10-20/h3-12,22H,13-19H2,1-2H3
InChIKey
VGIKQAGEGCQRHQ-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-1-yl)-N,N-dimethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.25908 185.7
[M+Na]+ 360.24102 186.7
[M-H]- 336.24452 191.6
[M+NH4]+ 355.28562 195.6
[M+K]+ 376.21496 182.1
[M+H-H2O]+ 320.24906 173.5
[M+HCOO]- 382.25000 202.0
[M+CH3COO]- 396.26565 218.2
[M+Na-2H]- 358.22647 186.9
[M]+ 337.25125 181.7
[M]- 337.25235 181.7
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