CID 73212507

Chembl3105396

Structural Information

Molecular Formula
C18H22O2
SMILES
CC1=CC2=C(C=C1OC)C3=C(C=C2)C(C(CC3)O)(C)C
InChI
InChI=1S/C18H22O2/c1-11-9-12-5-7-15-13(14(12)10-16(11)20-4)6-8-17(19)18(15,2)3/h5,7,9-10,17,19H,6,8H2,1-4H3
InChIKey
TZACEXPNLOIBBM-UHFFFAOYSA-N
Compound name
6-methoxy-1,1,7-trimethyl-3,4-dihydro-2H-phenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.162 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 163.0
[M+Na]+ 293.15122 172.3
[M-H]- 269.15472 167.5
[M+NH4]+ 288.19582 183.7
[M+K]+ 309.12516 167.8
[M+H-H2O]+ 253.15926 156.7
[M+HCOO]- 315.16020 180.0
[M+CH3COO]- 329.17585 201.2
[M+Na-2H]- 291.13667 167.8
[M]+ 270.16145 163.9
[M]- 270.16255 163.9
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

No patent data available for this compound.