CID 14681584

8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Structural Information

Molecular Formula
C20H24O4
SMILES
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC
InChI
InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3
InChIKey
TZAAYUCUPIYQBR-UHFFFAOYSA-N
Compound name
8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

328.16745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 177.7
[M+Na]+ 351.15667 186.1
[M-H]- 327.16017 183.3
[M+NH4]+ 346.20127 192.3
[M+K]+ 367.13061 181.9
[M+H-H2O]+ 311.16471 170.3
[M+HCOO]- 373.16565 194.5
[M+CH3COO]- 387.18130 210.4
[M+Na-2H]- 349.14212 178.1
[M]+ 328.16690 179.6
[M]- 328.16800 179.6
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