CID 10021709

Hierridin b

Structural Information

Molecular Formula
C23H40O3
SMILES
CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O
InChI
InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
InChIKey
VNEAIGHVYDWTTQ-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-6-pentadecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

364.29776 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 196.6
[M+Na]+ 387.28698 200.1
[M-H]- 363.29048 197.1
[M+NH4]+ 382.33158 209.2
[M+K]+ 403.26092 195.6
[M+H-H2O]+ 347.29502 188.6
[M+HCOO]- 409.29596 215.5
[M+CH3COO]- 423.31161 220.1
[M+Na-2H]- 385.27243 194.7
[M]+ 364.29721 205.2
[M]- 364.29831 205.2
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