CID 135494004

Nsc691079

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C15H11N3O3/c19-11-7-5-10(6-8-11)9-16-18-14(20)12-3-1-2-4-13(12)17-15(18)21/h1-9,19H,(H,17,21)/b16-9+
InChIKey
DNFHMXRBWQAULZ-CXUHLZMHSA-N
Compound name
3-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 161.3
[M+Na]+ 304.06927 171.8
[M-H]- 280.07277 165.9
[M+NH4]+ 299.11387 174.6
[M+K]+ 320.04321 165.6
[M+H-H2O]+ 264.07731 152.0
[M+HCOO]- 326.07825 182.9
[M+CH3COO]- 340.09390 173.0
[M+Na-2H]- 302.05472 169.2
[M]+ 281.07950 161.5
[M]- 281.08060 161.5
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.