CID 470908

N-hexadecylpyrazine-2-carboxamide

Structural Information

Molecular Formula
C21H37N3O
SMILES
CCCCCCCCCCCCCCCCNC(=O)C1=NC=CN=C1
InChI
InChI=1S/C21H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-21(25)20-19-22-17-18-23-20/h17-19H,2-16H2,1H3,(H,24,25)
InChIKey
PTPAPNUSWGGIRH-UHFFFAOYSA-N
Compound name
N-hexadecylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

347.29367 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.30095 192.7
[M+Na]+ 370.28289 194.0
[M-H]- 346.28639 190.9
[M+NH4]+ 365.32749 202.7
[M+K]+ 386.25683 189.2
[M+H-H2O]+ 330.29093 182.2
[M+HCOO]- 392.29187 211.0
[M+CH3COO]- 406.30752 218.8
[M+Na-2H]- 368.26834 193.8
[M]+ 347.29312 197.2
[M]- 347.29422 197.2
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

patents stripe