CID 54215251

3,5,3',4',5'-pentamethoxystilbene

Structural Information

Molecular Formula
C19H22O5
SMILES
COC1=CC(=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC
InChI
InChI=1S/C19H22O5/c1-20-15-8-13(9-16(12-15)21-2)6-7-14-10-17(22-3)19(24-5)18(11-14)23-4/h6-12H,1-5H3
InChIKey
PYSIIZCKWCWZPP-UHFFFAOYSA-N
Compound name
5-[2-(3,5-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

330.14673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.154006 176.0
[M+Na]+ 353.135948 184.9
[M-H]- 329.139454 183.4
[M+NH4]+ 348.180553 190.7
[M+K]+ 369.109888 182.6
[M+H-H2O]+ 313.143990 167.6
[M+HCOO]- 375.144931 199.9
[M+CH3COO]- 389.160581 211.7
[M+Na-2H]- 351.121396 178.0
[M]+ 330.14618142 185.2
[M]- 330.14727858 185.2
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