CID 3301160

47237-11-6

Structural Information

Molecular Formula
C19H16O3
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2
InChI
InChI=1S/C19H16O3/c1-14(2)19(21)22-17-11-9-16(10-12-17)18(20)13-8-15-6-4-3-5-7-15/h3-13H,1H2,2H3
InChIKey
XMEQKUYDQRWRMT-UHFFFAOYSA-N
Compound name
[4-(3-phenylprop-2-enoyl)phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

292.10995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.117226 168.0
[M+Na]+ 315.099168 173.7
[M-H]- 291.102674 174.2
[M+NH4]+ 310.143773 182.7
[M+K]+ 331.073108 169.5
[M+H-H2O]+ 275.107210 160.1
[M+HCOO]- 337.108151 189.2
[M+CH3COO]- 351.123801 202.2
[M+Na-2H]- 313.084616 169.1
[M]+ 292.10940142 168.7
[M]- 292.11049858 168.7
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

patents stripe