CID 3055189

72050-86-3

Structural Information

Molecular Formula
C25H38N2O
SMILES
CCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O
InChI
InChI=1S/C25H38N2O/c1-5-25(28,23-14-10-7-11-15-23)24(20-22-12-8-6-9-13-22)21-27(4)18-16-26(2,3)17-19-27/h6-15,24,28H,5,16-21H2,1-4H3/q+2
InChIKey
KNDLEOOCIHSCRH-UHFFFAOYSA-N
Compound name
1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.305676 199.1
[M+Na]+ 405.287618 200.8
[M-H]- 381.291124 203.3
[M+NH4]+ 400.332223 210.1
[M+K]+ 421.261558 184.4
[M+H-H2O]+ 365.295660 193.9
[M+HCOO]- 427.296601 209.0
[M+CH3COO]- 441.312251 205.3
[M+Na-2H]- 403.273066 205.8
[M]+ 382.29785142 192.2
[M]- 382.29894858 192.2
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.