CID 5048382

2,4-dimethoxy-4b,5,6,8,8a-hexahydro-9(10h)-phenanthrone

Structural Information

Molecular Formula
C16H20O3
SMILES
COC1=CC2=C(C3CCCCC3C(=O)C2)C(=C1)OC
InChI
InChI=1S/C16H20O3/c1-18-11-7-10-8-14(17)12-5-3-4-6-13(12)16(10)15(9-11)19-2/h7,9,12-13H,3-6,8H2,1-2H3
InChIKey
YUQUDMLLQQVQRX-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-5,6,7,8,8a,10-hexahydro-4bH-phenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.14124 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 157.7
[M+Na]+ 283.13046 164.4
[M-H]- 259.13396 162.3
[M+NH4]+ 278.17506 176.7
[M+K]+ 299.10440 161.2
[M+H-H2O]+ 243.13850 150.8
[M+HCOO]- 305.13944 174.4
[M+CH3COO]- 319.15509 199.0
[M+Na-2H]- 281.11591 161.8
[M]+ 260.14069 156.8
[M]- 260.14179 156.8
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