CID 6187656

331460-83-4

Structural Information

Molecular Formula
C23H24O4
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)C3CCCCC3
InChI
InChI=1S/C23H24O4/c1-26-20-14-10-18(11-15-20)22(24)16-9-17-7-12-21(13-8-17)27-23(25)19-5-3-2-4-6-19/h7-16,19H,2-6H2,1H3/b16-9+
InChIKey
MPRVZMSZKXHNED-CXUHLZMHSA-N
Compound name
[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16745 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17473 188.2
[M+Na]+ 387.15667 190.8
[M-H]- 363.16017 196.2
[M+NH4]+ 382.20127 199.3
[M+K]+ 403.13061 186.7
[M+H-H2O]+ 347.16471 178.3
[M+HCOO]- 409.16565 205.8
[M+CH3COO]- 423.18130 214.5
[M+Na-2H]- 385.14212 187.1
[M]+ 364.16690 186.2
[M]- 364.16800 186.2
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.