CID 586373

Carinol

Structural Information

Molecular Formula
C20H26O7
SMILES
COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)(CO)O)O
InChI
InChI=1S/C20H26O7/c1-26-18-8-13(3-5-16(18)23)7-15(11-21)20(25,12-22)10-14-4-6-17(24)19(9-14)27-2/h3-6,8-9,15,21-25H,7,10-12H2,1-2H3
InChIKey
INPPVVSEQRZCLJ-UHFFFAOYSA-N
Compound name
2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

378.16785 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17513 188.6
[M+Na]+ 401.15707 192.8
[M-H]- 377.16057 188.5
[M+NH4]+ 396.20167 196.9
[M+K]+ 417.13101 189.7
[M+H-H2O]+ 361.16511 181.2
[M+HCOO]- 423.16605 201.9
[M+CH3COO]- 437.18170 209.4
[M+Na-2H]- 399.14252 188.6
[M]+ 378.16730 191.0
[M]- 378.16840 191.0
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