CID 5346378

18778-38-6

Structural Information

Molecular Formula
C18H18O4
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C(=CC=C2)OC)OC
InChI
InChI=1S/C18H18O4/c1-20-15-10-7-13(8-11-15)16(19)12-9-14-5-4-6-17(21-2)18(14)22-3/h4-12H,1-3H3/b12-9+
InChIKey
IECVLMVZGCYCSZ-FMIVXFBMSA-N
Compound name
(E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

298.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 168.1
[M+Na]+ 321.10972 175.8
[M-H]- 297.11322 175.0
[M+NH4]+ 316.15432 183.4
[M+K]+ 337.08366 172.8
[M+H-H2O]+ 281.11776 160.0
[M+HCOO]- 343.11870 191.4
[M+CH3COO]- 357.13435 204.2
[M+Na-2H]- 319.09517 170.8
[M]+ 298.11995 173.4
[M]- 298.12105 173.4
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