CID 135573298

2-(5-chloro-2-hydroxyphenyl)-6-nitro-4-(1h)-quinazolinone

Structural Information

Molecular Formula
C14H8ClN3O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=N2)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C14H8ClN3O4/c15-7-1-4-12(19)10(5-7)13-16-11-3-2-8(18(21)22)6-9(11)14(20)17-13/h1-6,19H,(H,16,17,20)
InChIKey
XXXZIZFJHWLBKC-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-hydroxyphenyl)-6-nitro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

317.02032 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.02760 165.3
[M+Na]+ 340.00954 175.1
[M-H]- 316.01304 168.5
[M+NH4]+ 335.05414 176.7
[M+K]+ 355.98348 164.4
[M+H-H2O]+ 300.01758 161.8
[M+HCOO]- 362.01852 180.4
[M+CH3COO]- 376.03417 194.6
[M+Na-2H]- 337.99499 173.4
[M]+ 317.01977 165.4
[M]- 317.02087 165.4
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

patents stripe