CID 5289085

Moa stilbene

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: 31
Patents: 294.12558 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.132856	170.0
[M+Na]+	317.114798	175.8
[M-H]-	293.118304	176.2
[M+NH4]+	312.159403	184.9
[M+K]+	333.088738	171.6
[M+H-H2O]+	277.122840	161.9
[M+HCOO]-	339.123781	192.0
[M+CH3COO]-	353.139431	201.5
[M+Na-2H]-	315.100246	172.2
[M]+	294.12503142	171.9
[M]-	294.12612858	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe