CID 21149564

73398-95-5

Structural Information

Molecular Formula
C25H53N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CCO)CCO
InChI
InChI=1S/C25H52N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30)26-19-20-27(2,21-23-28)22-24-29/h28-29H,3-24H2,1-2H3/p+1
InChIKey
LCLCYUOSXLMHPA-UHFFFAOYSA-O
Compound name
bis(2-hydroxyethyl)-methyl-[2-(octadecanoylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.4056 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.41288 237.9
[M+Na]+ 452.39482 243.9
[M-H]- 428.39832 229.6
[M+NH4]+ 447.43942 233.7
[M+K]+ 468.36876 238.3
[M+H-H2O]+ 412.40286 211.3
[M+HCOO]- 474.40380 247.4
[M+CH3COO]- 488.41945 229.7
[M+Na-2H]- 450.38027 223.0
[M]+ 429.40505 233.1
[M]- 429.40615 233.1
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.