CID 11099949

Dictyoquinazol c

Structural Information

Molecular Formula
C18H18N2O5
SMILES
COC1=CC(=C(C=C1)N2CN(C3=C(C2=O)C=C(C=C3)OC)C=O)CO
InChI
InChI=1S/C18H18N2O5/c1-24-13-3-5-16(12(7-13)9-21)20-10-19(11-22)17-6-4-14(25-2)8-15(17)18(20)23/h3-8,11,21H,9-10H2,1-2H3
InChIKey
RFAIUXGESYTSKG-UHFFFAOYSA-N
Compound name
3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxy-4-oxo-2H-quinazoline-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

342.12158 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12886 179.4
[M+Na]+ 365.11080 188.3
[M-H]- 341.11430 183.3
[M+NH4]+ 360.15540 190.5
[M+K]+ 381.08474 184.1
[M+H-H2O]+ 325.11884 169.6
[M+HCOO]- 387.11978 196.1
[M+CH3COO]- 401.13543 211.7
[M+Na-2H]- 363.09625 181.9
[M]+ 342.12103 182.8
[M]- 342.12213 182.8
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