CID 391479

Nsc690684

Structural Information

Molecular Formula
C21H37N3O
SMILES
CCCCCCCCCCCCCCCCCC1=NC(=C(O1)N)C#N
InChI
InChI=1S/C21H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-19(18-22)21(23)25-20/h2-17,23H2,1H3
InChIKey
HZBKCIYIRLMFPT-UHFFFAOYSA-N
Compound name
5-amino-2-heptadecyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.29367 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.30095 183.1
[M+Na]+ 370.28289 188.3
[M-H]- 346.28639 183.0
[M+NH4]+ 365.32749 193.9
[M+K]+ 386.25683 184.2
[M+H-H2O]+ 330.29093 167.5
[M+HCOO]- 392.29187 199.4
[M+CH3COO]- 406.30752 227.9
[M+Na-2H]- 368.26834 182.1
[M]+ 347.29312 183.7
[M]- 347.29422 183.7
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.