CID 3037015

Miproxifene

Structural Information

Molecular Formula
C29H35NO2
SMILES
CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C29H35NO2/c1-6-28(23-9-7-22(8-10-23)21(2)3)29(24-11-15-26(31)16-12-24)25-13-17-27(18-14-25)32-20-19-30(4)5/h7-18,21,31H,6,19-20H2,1-5H3/b29-28-
InChIKey
FVVPWVFWOOMXEZ-ZIADKAODSA-N
Compound name
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1521
Patents

429.26678 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.27406 211.4
[M+Na]+ 452.25600 213.3
[M-H]- 428.25950 219.7
[M+NH4]+ 447.30060 220.0
[M+K]+ 468.22994 208.6
[M+H-H2O]+ 412.26404 200.7
[M+HCOO]- 474.26498 229.3
[M+CH3COO]- 488.28063 236.8
[M+Na-2H]- 450.24145 207.4
[M]+ 429.26623 212.9
[M]- 429.26733 212.9
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

patents stripe