CID 3043014

Refchem:1056683

Structural Information

Molecular Formula
C23H33N2O
SMILES
CC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CC[N+](CC3)(C)C)O
InChI
InChI=1S/C23H33N2O/c1-23(26,21-12-8-5-9-13-21)22(18-20-10-6-4-7-11-20)19-24-14-16-25(2,3)17-15-24/h4-13,22,26H,14-19H2,1-3H3/q+1
InChIKey
HFELQPPRQAOFEQ-UHFFFAOYSA-N
Compound name
3-benzyl-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.25928 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.266556 191.0
[M+Na]+ 376.248498 193.0
[M-H]- 352.252004 195.0
[M+NH4]+ 371.293103 201.4
[M+K]+ 392.222438 181.9
[M+H-H2O]+ 336.256540 183.1
[M+HCOO]- 398.257481 202.2
[M+CH3COO]- 412.273131 205.7
[M+Na-2H]- 374.233946 195.6
[M]+ 353.25873142 184.5
[M]- 353.25982858 184.5
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.