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]+ 365.174726 188.2
[M+Na]+ 387.156668 190.8
[M-H]- 363.160174 196.2
[M+NH4]+ 382.201273 199.3
[M+K]+ 403.130608 186.7
[M+H-H2O]+ 347.164710 178.3
[M+HCOO]- 409.165651 205.8
[M+CH3COO]- 423.181301 214.5
[M+Na-2H]- 385.142116 187.1
[M]+ 364.16690142 186.2
[M]- 364.16799858 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.