CID 76084574

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

Structural Information

Molecular Formula
C21H43N3O2
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C21H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25)24-19(21(23)26)16-15-18-22/h19H,2-18,22H2,1H3,(H2,23,26)(H,24,25)
InChIKey
INVYBJGTBFSHLQ-UHFFFAOYSA-N
Compound name
N-(1,5-diamino-1-oxopentan-2-yl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.33554 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.34282 202.2
[M+Na]+ 392.32476 200.4
[M-H]- 368.32826 198.6
[M+NH4]+ 387.36936 212.8
[M+K]+ 408.29870 197.1
[M+H-H2O]+ 352.33280 193.4
[M+HCOO]- 414.33374 220.7
[M+CH3COO]- 428.34939 230.0
[M+Na-2H]- 390.31021 196.3
[M]+ 369.33499 203.9
[M]- 369.33609 203.9
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.