CID 637050

Dictyoquinazol a

Structural Information

Molecular Formula
C17H16N2O4
SMILES
COC1=CC(=C(C=C1)N2C=NC3=C(C2=O)C=C(C=C3)OC)CO
InChI
InChI=1S/C17H16N2O4/c1-22-12-4-6-16(11(7-12)9-20)19-10-18-15-5-3-13(23-2)8-14(15)17(19)21/h3-8,10,20H,9H2,1-2H3
InChIKey
SHUSJJZZTZAKPD-UHFFFAOYSA-N
Compound name
3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

12
Patents

312.111 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 171.9
[M+Na]+ 335.10022 188.2
[M+NH4]+ 330.14482 178.7
[M+K]+ 351.07416 180.9
[M-H]- 311.10372 175.1
[M+Na-2H]- 333.08567 179.6
[M]+ 312.11045 175.2
[M]- 312.11155 175.2
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