CID 105311

Einecs 266-204-9

Structural Information

Molecular Formula
C25H52N2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(CCO)[O-]
InChI
InChI=1S/C25H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(30)26-19-17-20-27(31,21-23-28)22-24-29/h28-29H,2-24H2,1H3,(H,26,30)
InChIKey
QEPINIINIXYTDM-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-3-(octadecanoylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.3927 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.39998 240.3
[M+Na]+ 467.38192 243.8
[M-H]- 443.38542 230.4
[M+NH4]+ 462.42652 235.7
[M+K]+ 483.35586 242.8
[M+H-H2O]+ 427.38996 226.6
[M+HCOO]- 489.39090 247.7
[M+CH3COO]- 503.40655 228.3
[M+Na-2H]- 465.36737 224.0
[M]+ 444.39215 233.1
[M]- 444.39325 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.