CID 3067395

1-piperazinepropanamine, n,n-dimethyl-gamma-phenyl-4-(phenylmethyl)-, (z)-2-butenedioate (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]+ 338.259076 185.7
[M+Na]+ 360.241018 186.7
[M-H]- 336.244524 191.6
[M+NH4]+ 355.285623 195.6
[M+K]+ 376.214958 182.1
[M+H-H2O]+ 320.249060 173.5
[M+HCOO]- 382.250001 202.0
[M+CH3COO]- 396.265651 218.2
[M+Na-2H]- 358.226466 186.9
[M]+ 337.25125142 181.7
[M]- 337.25234858 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