CID 3159616

2-(4-methyl-piperazin-1-yl)-2-phenyl-ethylamine trihydrochloride

Structural Information

Molecular Formula
C13H21N3
SMILES
CN1CCN(CC1)C(CN)C2=CC=CC=C2
InChI
InChI=1S/C13H21N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h2-6,13H,7-11,14H2,1H3
InChIKey
VHZHFHXITHQLFZ-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

219.17355 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 153.4
[M+Na]+ 242.162768 157.2
[M-H]- 218.166274 155.7
[M+NH4]+ 237.207373 168.1
[M+K]+ 258.136708 153.9
[M+H-H2O]+ 202.170810 144.3
[M+HCOO]- 264.171751 170.6
[M+CH3COO]- 278.187401 191.5
[M+Na-2H]- 240.148216 156.6
[M]+ 219.17300142 146.9
[M]- 219.17409858 146.9
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