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]+ 271.169276 163.0
[M+Na]+ 293.151218 172.3
[M-H]- 269.154724 167.5
[M+NH4]+ 288.195823 183.7
[M+K]+ 309.125158 167.8
[M+H-H2O]+ 253.159260 156.7
[M+HCOO]- 315.160201 180.0
[M+CH3COO]- 329.175851 201.2
[M+Na-2H]- 291.136666 167.8
[M]+ 270.16145142 163.9
[M]- 270.16254858 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

literature stripe

Patent stripe

No patent data available for this compound.