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

8
Patents

305.99628 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00356 161.8
[M+Na]+ 328.98550 174.7
[M-H]- 304.98900 164.4
[M+NH4]+ 324.03010 175.6
[M+K]+ 344.95944 166.3
[M+H-H2O]+ 288.99354 154.8
[M+HCOO]- 350.99448 171.0
[M+CH3COO]- 365.01013 173.1
[M+Na-2H]- 326.97095 167.4
[M]+ 305.99573 164.6
[M]- 305.99683 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