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]+ 248.21213 161.3
[M+Na]+ 270.19407 164.4
[M-H]- 246.19757 163.5
[M+NH4]+ 265.23867 175.1
[M+K]+ 286.16801 160.4
[M+H-H2O]+ 230.20211 151.5
[M+HCOO]- 292.20305 179.4
[M+CH3COO]- 306.21870 197.4
[M+Na-2H]- 268.17952 165.6
[M]+ 247.20430 157.1
[M]- 247.20540 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

No patent data available for this compound.