CID 59478717

[3-(4-benzylpiperazin-1-yl)propyl](methyl)amine

Structural Information

Molecular Formula
C15H25N3
SMILES
CNCCCN1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H25N3/c1-16-8-5-9-17-10-12-18(13-11-17)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
InChIKey
YKYSDSYONRAGOI-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-1-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

247.20485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.212126 161.3
[M+Na]+ 270.194068 164.4
[M-H]- 246.197574 163.5
[M+NH4]+ 265.238673 175.1
[M+K]+ 286.168008 160.4
[M+H-H2O]+ 230.202110 151.5
[M+HCOO]- 292.203051 179.4
[M+CH3COO]- 306.218701 197.4
[M+Na-2H]- 268.179516 165.6
[M]+ 247.20430142 157.1
[M]- 247.20539858 157.1
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