CID 5922684

Nsc693440

Structural Information

Molecular Formula
C23H22O4
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)/C=C/3\CCCCC3=O
InChI
InChI=1S/C23H22O4/c1-26-20-11-6-17(7-12-20)10-15-23(25)27-21-13-8-18(9-14-21)16-19-4-2-3-5-22(19)24/h6-16H,2-5H2,1H3/b15-10+,19-16+
InChIKey
LDFGUVNKVKIFDO-ZREKFDDQSA-N
Compound name
[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.1518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15908 187.1
[M+Na]+ 385.14102 191.4
[M-H]- 361.14452 195.6
[M+NH4]+ 380.18562 198.8
[M+K]+ 401.11496 186.2
[M+H-H2O]+ 345.14906 177.4
[M+HCOO]- 407.15000 206.0
[M+CH3COO]- 421.16565 213.5
[M+Na-2H]- 383.12647 186.5
[M]+ 362.15125 185.4
[M]- 362.15235 185.4
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

No patent data available for this compound.