CID 10359290

Salvicine

Structural Information

Molecular Formula
C20H26O4
SMILES
CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC(C(C)(C)O)O
InChI
InChI=1S/C20H26O4/c1-11(2)15-10-13-7-6-12(3)14(17(13)19(23)18(15)22)8-9-16(21)20(4,5)24/h6-7,10-11,16,21,24H,8-9H2,1-5H3
InChIKey
NZIUPDOWWMGNCV-UHFFFAOYSA-N
Compound name
8-(3,4-dihydroxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

98
Patents

330.1831 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 177.9
[M+Na]+ 353.17232 184.6
[M-H]- 329.17582 179.7
[M+NH4]+ 348.21692 192.3
[M+K]+ 369.14626 181.1
[M+H-H2O]+ 313.18036 172.5
[M+HCOO]- 375.18130 191.6
[M+CH3COO]- 389.19695 212.2
[M+Na-2H]- 351.15777 177.1
[M]+ 330.18255 180.0
[M]- 330.18365 180.0
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