CID 442694

Batatasin i

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)O)OC)OC
InChI
InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
InChIKey
KGYHMWVRKYFQQR-UHFFFAOYSA-N
Compound name
2,5,7-trimethoxyphenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

107
Patents

284.10486 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 162.0
[M+Na]+ 307.09408 173.4
[M-H]- 283.09758 167.5
[M+NH4]+ 302.13868 180.1
[M+K]+ 323.06802 169.8
[M+H-H2O]+ 267.10212 154.9
[M+HCOO]- 329.10306 184.0
[M+CH3COO]- 343.11871 202.0
[M+Na-2H]- 305.07953 169.3
[M]+ 284.10431 169.4
[M]- 284.10541 169.4
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