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
1
Annotation Hits

0
References

11
Patents

367.34503 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.35231 199.8
[M+Na]+ 390.33425 201.4
[M-H]- 366.33775 198.5
[M+NH4]+ 385.37885 212.8
[M+K]+ 406.30819 197.6
[M+H-H2O]+ 350.34229 192.1
[M+HCOO]- 412.34323 215.6
[M+CH3COO]- 426.35888 218.2
[M+Na-2H]- 388.31970 198.3
[M]+ 367.34448 206.8
[M]- 367.34558 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