CID 13670211

Octadecanoic acid, 1-(3-methoxy-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

Molecular Formula
C24H48N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCC(=O)OC)N(C)C
InChI
InChI=1S/C24H48N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)26(25(2)3)22-21-24(28)29-4/h5-22H2,1-4H3
InChIKey
SHHRIFJTMSNXNQ-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino(octadecanoyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.3665 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.37378 216.6
[M+Na]+ 435.35572 215.2
[M-H]- 411.35922 225.5
[M+NH4]+ 430.40032 236.6
[M+K]+ 451.32966 214.3
[M+H-H2O]+ 395.36376 207.4
[M+HCOO]- 457.36470 234.2
[M+CH3COO]- 471.38035 241.8
[M+Na-2H]- 433.34117 210.7
[M]+ 412.36595 228.6
[M]- 412.36705 228.6
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