CID 76091184

N-(4-amino-1-carbamoyl-butyl)octadecanamide

Structural Information

Molecular Formula
C23H47N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C23H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(27)26-21(23(25)28)18-17-20-24/h21H,2-20,24H2,1H3,(H2,25,28)(H,26,27)
InChIKey
KJPSPAOYBBWVEL-UHFFFAOYSA-N
Compound name
N-(1,5-diamino-1-oxopentan-2-yl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.36682 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.37410 210.7
[M+Na]+ 420.35604 208.0
[M-H]- 396.35954 206.7
[M+NH4]+ 415.40064 219.9
[M+K]+ 436.32998 204.3
[M+H-H2O]+ 380.36408 201.6
[M+HCOO]- 442.36502 223.0
[M+CH3COO]- 456.38067 235.9
[M+Na-2H]- 418.34149 203.8
[M]+ 397.36627 213.2
[M]- 397.36737 213.2
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.