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]+ 383.30568 194.9
[M+Na]+ 405.28762 211.4
[M+NH4]+ 400.33222 207.3
[M+K]+ 421.26156 200.3
[M-H]- 381.29112 203.1
[M+Na-2H]- 403.27307 207.9
[M]+ 382.29785 200.9
[M]- 382.29895 200.9
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.