CID 6062847

Nsc643190

Structural Information

Molecular Formula
C24H19NO3
SMILES
COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C24H19NO3/c1-27-23-15-19(12-13-22(23)28-17-18-8-4-2-5-9-18)14-21(16-25)24(26)20-10-6-3-7-11-20/h2-15H,17H2,1H3/b21-14+
InChIKey
SFIXTJGUMGRISS-KGENOOAVSA-N
Compound name
(E)-2-benzoyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1365 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14378 196.6
[M+Na]+ 392.12572 204.5
[M-H]- 368.12922 203.1
[M+NH4]+ 387.17032 206.2
[M+K]+ 408.09966 196.4
[M+H-H2O]+ 352.13376 180.2
[M+HCOO]- 414.13470 213.8
[M+CH3COO]- 428.15035 225.2
[M+Na-2H]- 390.11117 196.5
[M]+ 369.13595 192.6
[M]- 369.13705 192.6
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.