CID 65645

Zindoxifene

Structural Information

Molecular Formula
C21H21NO4
SMILES
CCN1C2=C(C=C(C=C2)OC(=O)C)C(=C1C3=CC=C(C=C3)OC(=O)C)C
InChI
InChI=1S/C21H21NO4/c1-5-22-20-11-10-18(26-15(4)24)12-19(20)13(2)21(22)16-6-8-17(9-7-16)25-14(3)23/h6-12H,5H2,1-4H3
InChIKey
KSZGVNZSUJHOJA-UHFFFAOYSA-N
Compound name
[4-(5-acetyloxy-1-ethyl-3-methylindol-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

811
Patents

351.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.1
[M+Na]+ 374.13628 197.5
[M+NH4]+ 369.18088 189.7
[M+K]+ 390.11022 192.6
[M-H]- 350.13978 186.0
[M+Na-2H]- 372.12173 189.0
[M]+ 351.14651 186.0
[M]- 351.14761 186.0
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