CID 9556319

Nsc691103

Structural Information

Molecular Formula
C15H10ClN3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)/N=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClN3O2/c16-11-7-5-10(6-8-11)9-17-19-14(20)12-3-1-2-4-13(12)18-15(19)21/h1-9H,(H,18,21)/b17-9+
InChIKey
APNUUUPJIHIZTG-RQZCQDPDSA-N
Compound name
3-[(E)-(4-chlorophenyl)methylideneamino]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.04614 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05342 164.5
[M+Na]+ 322.03536 176.3
[M-H]- 298.03886 170.0
[M+NH4]+ 317.07996 178.7
[M+K]+ 338.00930 168.8
[M+H-H2O]+ 282.04340 155.5
[M+HCOO]- 344.04434 182.8
[M+CH3COO]- 358.05999 176.5
[M+Na-2H]- 320.02081 172.2
[M]+ 299.04559 167.3
[M]- 299.04669 167.3
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.