CID 6449190

Brn 3625958

Structural Information

Molecular Formula
C18H14O5
SMILES
COC1=CC2=C(C=C1)OC/C(=C\C3=CC4=C(C=C3)OCO4)/C2=O
InChI
InChI=1S/C18H14O5/c1-20-13-3-5-15-14(8-13)18(19)12(9-21-15)6-11-2-4-16-17(7-11)23-10-22-16/h2-8H,9-10H2,1H3/b12-6+
InChIKey
UUHDVSULFVCGJR-WUXMJOGZSA-N
Compound name
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-6-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 167.8
[M+Na]+ 333.07336 176.7
[M-H]- 309.07686 178.4
[M+NH4]+ 328.11796 182.3
[M+K]+ 349.04730 176.0
[M+H-H2O]+ 293.08140 161.2
[M+HCOO]- 355.08234 185.2
[M+CH3COO]- 369.09799 180.3
[M+Na-2H]- 331.05881 173.2
[M]+ 310.08359 171.3
[M]- 310.08469 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.