CID 5316874

3,5-dimethoxystilbene

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

COC1=CC(=CC(=C1)/C=C/C2=CC=CC=C2)OC

InChI

InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+

InChIKey

BIYGTLDPTJMNET-CMDGGOBGSA-N

Compound name

1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 132
Patents: 240.11504 Da
Monoisotopic Mass: 4.1
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]+	241.122316	154.1
[M+Na]+	263.104258	162.1
[M-H]-	239.107764	161.0
[M+NH4]+	258.148863	171.9
[M+K]+	279.078198	158.3
[M+H-H2O]+	223.112300	146.6
[M+HCOO]-	285.113241	178.5
[M+CH3COO]-	299.128891	192.9
[M+Na-2H]-	261.089706	159.7
[M]+	240.11449142	156.8
[M]-	240.11558858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe