CID 156224

Indanestrol

Structural Information

Molecular Formula
C18H20O2
SMILES
CCC1C(C(C2=C1C=CC(=C2)O)C)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H20O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-11,15,18-20H,3H2,1-2H3
InChIKey
UVOBXMBJOYYZST-UHFFFAOYSA-N
Compound name
1-ethyl-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

268.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 162.7
[M+Na]+ 291.135548 171.6
[M-H]- 267.139054 168.5
[M+NH4]+ 286.180153 181.5
[M+K]+ 307.109488 165.9
[M+H-H2O]+ 251.143590 156.8
[M+HCOO]- 313.144531 182.3
[M+CH3COO]- 327.160181 196.8
[M+Na-2H]- 289.120996 163.8
[M]+ 268.14578142 162.6
[M]- 268.14687858 162.6
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