CID 43264

2-methoxy-5-(2',3',4'-trimethoxyphenyl)tropone

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C(=C(C=C1)C2=CC=C(C(=O)C=C2)OC)OC)OC
InChI
InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3
InChIKey
QIMGSZURBOTPMW-UHFFFAOYSA-N
Compound name
2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

35
References

205
Patents

302.11542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 163.0
[M+Na]+ 325.10464 170.7
[M-H]- 301.10814 171.7
[M+NH4]+ 320.14924 177.7
[M+K]+ 341.07858 174.7
[M+H-H2O]+ 285.11268 156.9
[M+HCOO]- 347.11362 186.7
[M+CH3COO]- 361.12927 206.7
[M+Na-2H]- 323.09009 165.9
[M]+ 302.11487 168.1
[M]- 302.11597 168.1
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