CID 354369

Nsc605907

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H14O5/c1-10-17(11-3-6-14-16(7-11)22-9-21-14)18(19)13-5-4-12(20-2)8-15(13)23-10/h3-8H,9H2,1-2H3
InChIKey
MWVBRARDOSLCMK-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-7-methoxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 167.9
[M+Na]+ 333.07336 179.4
[M-H]- 309.07686 179.7
[M+NH4]+ 328.11796 183.0
[M+K]+ 349.04730 179.2
[M+H-H2O]+ 293.08140 161.4
[M+HCOO]- 355.08234 188.0
[M+CH3COO]- 369.09799 181.8
[M+Na-2H]- 331.05881 174.4
[M]+ 310.08359 175.5
[M]- 310.08469 175.5
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.