CID 136231923

Q301

Structural Information

Molecular Formula
C15H14N2O5
SMILES
COC1=C(C(=C2C(=C1)C(=O)NC(=N2)C3=CC=CO3)OC)OC
InChI
InChI=1S/C15H14N2O5/c1-19-10-7-8-11(13(21-3)12(10)20-2)16-14(17-15(8)18)9-5-4-6-22-9/h4-7H,1-3H3,(H,16,17,18)
InChIKey
KZYUUVBYJWXXRS-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-6,7,8-trimethoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09027 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 165.0
[M+Na]+ 325.07949 177.3
[M-H]- 301.08299 171.2
[M+NH4]+ 320.12409 178.7
[M+K]+ 341.05343 174.7
[M+H-H2O]+ 285.08753 156.7
[M+HCOO]- 347.08847 186.9
[M+CH3COO]- 361.10412 201.1
[M+Na-2H]- 323.06494 170.4
[M]+ 302.08972 173.5
[M]- 302.09082 173.5
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.