CID 9977853

Phaffiaol

Structural Information

Molecular Formula
C25H44O3
SMILES
CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O
InChI
InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(27-2)21-24(28-3)25(22)26/h20-21,26H,4-19H2,1-3H3
InChIKey
PCBROMAIRGVTNX-UHFFFAOYSA-N
Compound name
2-heptadecyl-4,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

43
Patents

392.32904 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.33632 205.5
[M+Na]+ 415.31826 208.1
[M-H]- 391.32176 205.6
[M+NH4]+ 410.36286 216.9
[M+K]+ 431.29220 203.1
[M+H-H2O]+ 375.32630 197.1
[M+HCOO]- 437.32724 223.7
[M+CH3COO]- 451.34289 226.0
[M+Na-2H]- 413.30371 202.5
[M]+ 392.32849 214.8
[M]- 392.32959 214.8
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