CID 135573297

4(1h)-quinazolinone, 2-(3,5-dichloro-2-hydroxyphenyl)-

Structural Information

Molecular Formula
C14H8Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C14H8Cl2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,19H,(H,17,18,20)
InChIKey
IZKYBVYMLNWKGE-UHFFFAOYSA-N
Compound name
2-(3,5-dichloro-2-hydroxyphenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

305.99628 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.003556 161.8
[M+Na]+ 328.985498 174.7
[M-H]- 304.989004 164.4
[M+NH4]+ 324.030103 175.6
[M+K]+ 344.959438 166.3
[M+H-H2O]+ 288.993540 154.8
[M+HCOO]- 350.994481 171.0
[M+CH3COO]- 365.010131 173.1
[M+Na-2H]- 326.970946 167.4
[M]+ 305.99573142 164.6
[M]- 305.99682858 164.6
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