CID 5346253

86711-45-7

Structural Information

Molecular Formula
C23H20O2
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C23H20O2/c1-18-7-12-21(13-8-18)23(24)16-11-19-9-14-22(15-10-19)25-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+
InChIKey
NRODJPGJMUQZBB-LFIBNONCSA-N
Compound name
(E)-1-(4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

328.14633 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15361 180.3
[M+Na]+ 351.13555 186.2
[M-H]- 327.13905 189.3
[M+NH4]+ 346.18015 193.4
[M+K]+ 367.10949 180.1
[M+H-H2O]+ 311.14359 170.5
[M+HCOO]- 373.14453 202.5
[M+CH3COO]- 387.16018 209.8
[M+Na-2H]- 349.12100 183.0
[M]+ 328.14578 181.0
[M]- 328.14688 181.0
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