CID 90706

Octadecanamide, n-[3-(dimethyloxidoamino)propyl]-

Structural Information

Molecular Formula
C23H48N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
InChI
InChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h4-22H2,1-3H3,(H,24,26)
InChIKey
ZHXQBNMVWBJMFB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(octadecanoylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

384.37158 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.37886 231.7
[M+Na]+ 407.36080 238.7
[M-H]- 383.36430 222.1
[M+NH4]+ 402.40540 230.4
[M+K]+ 423.33474 237.0
[M+H-H2O]+ 367.36884 205.6
[M+HCOO]- 429.36978 243.4
[M+CH3COO]- 443.38543 224.3
[M+Na-2H]- 405.34625 208.8
[M]+ 384.37103 228.1
[M]- 384.37213 228.1
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

patents stripe