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
3
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 223.6
[M+Na]+ 439.36322 227.3
[M-H]- 415.36672 213.7
[M+NH4]+ 434.40782 218.9
[M+K]+ 455.33716 222.4
[M+H-H2O]+ 399.37126 208.2
[M+HCOO]- 461.37220 233.8
[M+CH3COO]- 475.38785 221.7
[M+Na-2H]- 437.34867 212.4
[M]+ 416.37345 220.2
[M]- 416.37455 220.2
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

patents stripe