CID 64678697

2-methyl-4-(4-phenylpiperazin-1-yl)butan-2-amine

Structural Information

Molecular Formula
C15H25N3
SMILES
CC(C)(CCN1CCN(CC1)C2=CC=CC=C2)N
InChI
InChI=1S/C15H25N3/c1-15(2,16)8-9-17-10-12-18(13-11-17)14-6-4-3-5-7-14/h3-7H,8-13,16H2,1-2H3
InChIKey
OUXJQMXQYFBOKL-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-phenylpiperazin-1-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.20485 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.212126 162.6
[M+Na]+ 270.194068 166.2
[M-H]- 246.197574 164.7
[M+NH4]+ 265.238673 176.3
[M+K]+ 286.168008 162.3
[M+H-H2O]+ 230.202110 153.5
[M+HCOO]- 292.203051 178.4
[M+CH3COO]- 306.218701 197.1
[M+Na-2H]- 268.179516 166.5
[M]+ 247.20430142 156.9
[M]- 247.20539858 156.9
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

No patent data available for this compound.