CID 3035880

83647-33-0

Structural Information

Molecular Formula
C25H27NO2
SMILES
CC/C(=C(/C1=CC=C(C=C1)OCCNC)\C2=CC(=CC=C2)O)/C3=CC=CC=C3
InChI
InChI=1S/C25H27NO2/c1-3-24(19-8-5-4-6-9-19)25(21-10-7-11-22(27)18-21)20-12-14-23(15-13-20)28-17-16-26-2/h4-15,18,26-27H,3,16-17H2,1-2H3/b25-24+
InChIKey
QPHNKIXIKDPNDI-OCOZRVBESA-N
Compound name
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

373.2042 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21148 193.8
[M+Na]+ 396.19342 196.8
[M-H]- 372.19692 201.0
[M+NH4]+ 391.23802 203.9
[M+K]+ 412.16736 190.7
[M+H-H2O]+ 356.20146 183.7
[M+HCOO]- 418.20240 213.7
[M+CH3COO]- 432.21805 219.9
[M+Na-2H]- 394.17887 194.5
[M]+ 373.20365 192.8
[M]- 373.20475 192.8
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.