CID 5289085

Methyl (2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate

Structural Information

Molecular Formula
C19H18O3
SMILES
CO/C=C(\C1=CC=CC=C1/C=C/C2=CC=CC=C2)/C(=O)OC
InChI
InChI=1S/C19H18O3/c1-21-14-18(19(20)22-2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3/b13-12+,18-14+
InChIKey
VEJCBCPEURAYAS-MEAXDALNSA-N
Compound name
methyl (E)-3-methoxy-2-[2-[(E)-2-phenylethenyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

4
Patents

294.12558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 170.0
[M+Na]+ 317.11480 175.8
[M-H]- 293.11830 176.2
[M+NH4]+ 312.15940 184.9
[M+K]+ 333.08874 171.6
[M+H-H2O]+ 277.12284 161.9
[M+HCOO]- 339.12378 192.0
[M+CH3COO]- 353.13943 201.5
[M+Na-2H]- 315.10025 172.2
[M]+ 294.12503 171.9
[M]- 294.12613 171.9
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