CID 3799794

2-cyano-n-hexadecylacetamide

Structural Information

Molecular Formula
C19H36N2O
SMILES
CCCCCCCCCCCCCCCCNC(=O)CC#N
InChI
InChI=1S/C19H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20/h2-16,18H2,1H3,(H,21,22)
InChIKey
HKZSRFNJSOUMAK-UHFFFAOYSA-N
Compound name
2-cyano-N-hexadecylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

308.28278 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.290056 176.3
[M+Na]+ 331.271998 179.7
[M-H]- 307.275504 175.0
[M+NH4]+ 326.316603 189.5
[M+K]+ 347.245938 176.5
[M+H-H2O]+ 291.280040 162.7
[M+HCOO]- 353.280981 193.3
[M+CH3COO]- 367.296631 222.5
[M+Na-2H]- 329.257446 176.2
[M]+ 308.28223142 176.3
[M]- 308.28332858 176.3
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