CID 46906

As-3509

Structural Information

Molecular Formula
C18H38N2O5
SMILES
CCOC(=O)CC[N+](C)(C)CCOCC[N+](C)(C)CCC(=O)OCC
InChI
InChI=1S/C18H38N2O5/c1-7-24-17(21)9-11-19(3,4)13-15-23-16-14-20(5,6)12-10-18(22)25-8-2/h7-16H2,1-6H3/q+2
InChIKey
RCUBSWOCVLIPCV-UHFFFAOYSA-N
Compound name
(3-ethoxy-3-oxopropyl)-[2-[2-[(3-ethoxy-3-oxopropyl)-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.27808 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28536 214.7
[M+Na]+ 385.26730 223.8
[M-H]- 361.27080 216.7
[M+NH4]+ 380.31190 221.7
[M+K]+ 401.24124 215.1
[M+H-H2O]+ 345.27534 205.3
[M+HCOO]- 407.27628 234.5
[M+CH3COO]- 421.29193 213.2
[M+Na-2H]- 383.25275 206.4
[M]+ 362.27753 214.8
[M]- 362.27863 214.8
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.