CID 9556314

Nsc691078

Structural Information

Molecular Formula
C16H13N3O3
SMILES
COC1=CC=C(C=C1)/C=N/N2C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C16H13N3O3/c1-22-12-8-6-11(7-9-12)10-17-19-15(20)13-4-2-3-5-14(13)18-16(19)21/h2-10H,1H3,(H,18,21)/b17-10+
InChIKey
ZTIFMGYGOGUMQK-LICLKQGHSA-N
Compound name
3-[(E)-(4-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 165.6
[M+Na]+ 318.08492 176.1
[M-H]- 294.08842 171.3
[M+NH4]+ 313.12952 178.9
[M+K]+ 334.05886 170.5
[M+H-H2O]+ 278.09296 155.7
[M+HCOO]- 340.09390 188.3
[M+CH3COO]- 354.10955 204.3
[M+Na-2H]- 316.07037 173.3
[M]+ 295.09515 167.9
[M]- 295.09625 167.9
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.