CID 6912978

68298-86-2

Structural Information

Molecular Formula
C23H43NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCC1=NC(CO1)(C)CO
InChI
InChI=1S/C23H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(2,20-25)21-26-22/h10-11,25H,3-9,12-21H2,1-2H3/b11-10-
InChIKey
AUSVTYYZQSKSSK-KHPPLWFESA-N
Compound name
[4-methyl-2-[(Z)-octadec-9-enyl]-5H-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

365.32938 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.33666 198.8
[M+Na]+ 388.31860 200.7
[M-H]- 364.32210 197.6
[M+NH4]+ 383.36320 211.9
[M+K]+ 404.29254 196.4
[M+H-H2O]+ 348.32664 191.2
[M+HCOO]- 410.32758 214.8
[M+CH3COO]- 424.34323 216.8
[M+Na-2H]- 386.30405 197.3
[M]+ 365.32883 205.0
[M]- 365.32993 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe