CID 58753

101710-61-6

Structural Information

Molecular Formula
C20H38N2O2
SMILES
CC[N+](CC)(CCO)CC1=CC=C(C=C1)C[N+](CC)(CC)CCO
InChI
InChI=1S/C20H38N2O2/c1-5-21(6-2,13-15-23)17-19-9-11-20(12-10-19)18-22(7-3,8-4)14-16-24/h9-12,23-24H,5-8,13-18H2,1-4H3/q+2
InChIKey
SUOQUTIAQQLGOV-UHFFFAOYSA-N
Compound name
[4-[[diethyl(2-hydroxyethyl)azaniumyl]methyl]phenyl]methyl-diethyl-(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.29333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.30061 183.7
[M+Na]+ 361.28255 186.0
[M-H]- 337.28605 186.4
[M+NH4]+ 356.32715 196.8
[M+K]+ 377.25649 172.0
[M+H-H2O]+ 321.29059 182.2
[M+HCOO]- 383.29153 202.7
[M+CH3COO]- 397.30718 207.2
[M+Na-2H]- 359.26800 192.9
[M]+ 338.29278 184.8
[M]- 338.29388 184.8
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.