CID 216715

37636-75-2

Structural Information

Molecular Formula
C22H30N2O
SMILES
CC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O
InChI
InChI=1S/C22H30N2O/c1-22(25,20-11-7-4-8-12-20)21(17-19-9-5-3-6-10-19)18-24-15-13-23(2)14-16-24/h3-12,21,25H,13-18H2,1-2H3
InChIKey
UZYFRUFXTLGUSN-UHFFFAOYSA-N
Compound name
3-benzyl-4-(4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 185.8
[M+Na]+ 361.22502 187.5
[M-H]- 337.22852 189.4
[M+NH4]+ 356.26962 194.7
[M+K]+ 377.19896 181.9
[M+H-H2O]+ 321.23306 175.0
[M+HCOO]- 383.23400 197.7
[M+CH3COO]- 397.24965 210.0
[M+Na-2H]- 359.21047 187.6
[M]+ 338.23525 180.3
[M]- 338.23635 180.3
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.