CID 3024656

3-(2,2-dimethyl-1-octadecanoylhydrazino)propionamide

Structural Information

Molecular Formula
C23H47N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCC(=O)N)N(C)C
InChI
InChI=1S/C23H47N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26(25(2)3)21-20-22(24)27/h4-21H2,1-3H3,(H2,24,27)
InChIKey
ITJXGYOUQQVKPP-UHFFFAOYSA-N
Compound name
3-[dimethylamino(octadecanoyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

397.36682 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.37410 212.8
[M+Na]+ 420.35604 210.8
[M-H]- 396.35954 212.3
[M+NH4]+ 415.40064 231.9
[M+K]+ 436.32998 209.5
[M+H-H2O]+ 380.36408 203.4
[M+HCOO]- 442.36502 229.7
[M+CH3COO]- 456.38067 242.1
[M+Na-2H]- 418.34149 206.6
[M]+ 397.36627 219.6
[M]- 397.36737 219.6
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