CID 16413814

331460-29-8

Structural Information

Molecular Formula
C26H24O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H24O3/c1-26(2,3)22-14-12-21(13-15-22)25(28)29-23-16-9-19(10-17-23)11-18-24(27)20-7-5-4-6-8-20/h4-18H,1-3H3/b18-11-
InChIKey
DRCUYOHCSHEMBA-WQRHYEAKSA-N
Compound name
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 4-tert-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.17255 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17983 195.2
[M+Na]+ 407.16177 200.2
[M-H]- 383.16527 204.3
[M+NH4]+ 402.20637 206.0
[M+K]+ 423.13571 194.9
[M+H-H2O]+ 367.16981 185.5
[M+HCOO]- 429.17075 214.2
[M+CH3COO]- 443.18640 219.9
[M+Na-2H]- 405.14722 196.3
[M]+ 384.17200 196.5
[M]- 384.17310 196.5
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.