CID 90381

24170-14-7

Structural Information

Molecular Formula
C24H50NO4
SMILES
CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(=O)O
InChI
InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-21-26,20-22-27)23-24(28)29/h26-27H,2-23H2,1H3/p+1
InChIKey
QEJSCTLHIOVBLH-UHFFFAOYSA-O
Compound name
carboxymethyl-bis(2-hydroxyethyl)-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

804
Patents

416.374 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.38128 209.8
[M+Na]+ 439.36322 215.1
[M+NH4]+ 434.40782 188.7
[M+K]+ 455.33716 186.0
[M-H]- 415.36672 177.6
[M+Na-2H]- 437.34867 207.7
[M]+ 416.37345 209.7
[M]- 416.37455 209.7
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

patents stripe