CID 9975920

2-heptadecanone, 1-(3,5-dihydroxyphenyl)-

Structural Information

Molecular Formula
C23H38O3
SMILES
CCCCCCCCCCCCCCCC(=O)CC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)16-20-17-22(25)19-23(26)18-20/h17-19,25-26H,2-16H2,1H3
InChIKey
JJYLJNSNDWOJGU-UHFFFAOYSA-N
Compound name
1-(3,5-dihydroxyphenyl)heptadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

362.2821 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 196.4
[M+Na]+ 385.27132 198.5
[M-H]- 361.27482 195.1
[M+NH4]+ 380.31592 207.8
[M+K]+ 401.24526 193.0
[M+H-H2O]+ 345.27936 188.5
[M+HCOO]- 407.28030 212.9
[M+CH3COO]- 421.29595 216.5
[M+Na-2H]- 383.25677 193.4
[M]+ 362.28155 201.3
[M]- 362.28265 201.3
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