CID 71316239

4-[(z)-1-(4-hydroxyphenyl)-1-[4-[2-(trideuteriomethylamino)ethoxy]phenyl]but-1-en-2-yl]phenol

Structural Information

Molecular Formula
C25H27NO3
SMILES
[2H]C([2H])([2H])NCCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=C(C=C2)O)/C3=CC=C(C=C3)O
InChI
InChI=1S/C25H27NO3/c1-3-24(18-4-10-21(27)11-5-18)25(19-6-12-22(28)13-7-19)20-8-14-23(15-9-20)29-17-16-26-2/h4-15,26-28H,3,16-17H2,1-2H3/b25-24-/i2D3
InChIKey
JYBJJTCUEOUMEV-CANUYGMUSA-N
Compound name
4-[(Z)-1-(4-hydroxyphenyl)-1-[4-[2-(trideuteriomethylamino)ethoxy]phenyl]but-1-en-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.21793 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22521 200.8
[M+Na]+ 415.20715 203.1
[M-H]- 391.21065 206.5
[M+NH4]+ 410.25175 209.2
[M+K]+ 431.18109 197.1
[M+H-H2O]+ 375.21519 190.3
[M+HCOO]- 437.21613 218.2
[M+CH3COO]- 451.23178 221.8
[M+Na-2H]- 413.19260 202.0
[M]+ 392.21738 200.1
[M]- 392.21848 200.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.