CID 3033897

Deamino-hydroxytamoxifen

Structural Information

Molecular Formula
C24H24O2
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCO)/C3=CC=CC=C3
InChI
InChI=1S/C24H24O2/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16,25H,2,17-18H2,1H3/b24-23-
InChIKey
TWASUFZMILCYJY-VHXPQNKSSA-N
Compound name
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

344.17764 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18492 186.0
[M+Na]+ 367.16686 189.5
[M-H]- 343.17036 193.1
[M+NH4]+ 362.21146 197.4
[M+K]+ 383.14080 183.4
[M+H-H2O]+ 327.17490 176.3
[M+HCOO]- 389.17584 205.2
[M+CH3COO]- 403.19149 210.7
[M+Na-2H]- 365.15231 187.4
[M]+ 344.17709 184.9
[M]- 344.17819 184.9
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