CID 91184

4-oxazolemethanol, 4-ethyl-2-heptadecyl-4,5-dihydro-

Structural Information

Molecular Formula
C23H45NO2
SMILES
CCCCCCCCCCCCCCCCCC1=NC(CO1)(CC)CO
InChI
InChI=1S/C23H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4-2,20-25)21-26-22/h25H,3-21H2,1-2H3
InChIKey
ZFRHGYULKOIOBB-UHFFFAOYSA-N
Compound name
(4-ethyl-2-heptadecyl-5H-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

367.34503 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.352306 199.8
[M+Na]+ 390.334248 201.4
[M-H]- 366.337754 198.5
[M+NH4]+ 385.378853 212.8
[M+K]+ 406.308188 197.6
[M+H-H2O]+ 350.342290 192.1
[M+HCOO]- 412.343231 215.6
[M+CH3COO]- 426.358881 218.2
[M+Na-2H]- 388.319696 198.3
[M]+ 367.34448142 206.8
[M]- 367.34557858 206.8
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