CID 6365587

63476-94-8

Structural Information

Molecular Formula
C27H31NO3
SMILES
CCOC1=C(C=C(C=C1)/C=C/C)OCC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C27H31NO3/c1-3-11-21-16-17-25(30-4-2)26(18-21)31-20-24(29)19-28-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23/h3,5-18,24,27-29H,4,19-20H2,1-2H3/b11-3+
InChIKey
WQTKWGUIFPHNPG-QDEBKDIKSA-N
Compound name
1-(benzhydrylamino)-3-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2304 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.237676 205.7
[M+Na]+ 440.219618 207.6
[M-H]- 416.223124 212.5
[M+NH4]+ 435.264223 213.9
[M+K]+ 456.193558 201.8
[M+H-H2O]+ 400.227660 194.9
[M+HCOO]- 462.228601 225.0
[M+CH3COO]- 476.244251 227.8
[M+Na-2H]- 438.205066 205.4
[M]+ 417.22985142 206.8
[M]- 417.23094858 206.8
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.