CID 13670210

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

Structural Information

Molecular Formula
C22H44N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCC(=O)OC)N(C)C
InChI
InChI=1S/C22H44N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(25)24(23(2)3)20-19-22(26)27-4/h5-20H2,1-4H3
InChIKey
QKBXFGGCXRIBRO-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino(hexadecanoyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.3352 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.34248 207.7
[M+Na]+ 407.32442 207.1
[M-H]- 383.32792 208.0
[M+NH4]+ 402.36902 229.3
[M+K]+ 423.29836 206.7
[M+H-H2O]+ 367.33246 198.9
[M+HCOO]- 429.33340 227.6
[M+CH3COO]- 443.34905 236.0
[M+Na-2H]- 405.30987 202.8
[M]+ 384.33465 217.4
[M]- 384.33575 217.4
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