CID 135573297

1033-16-5

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 164.0
[M+Na]+ 328.98550 182.7
[M+NH4]+ 324.03010 172.5
[M+K]+ 344.95944 173.6
[M-H]- 304.98900 167.6
[M+Na-2H]- 326.97095 172.8
[M]+ 305.99573 168.5
[M]- 305.99683 168.5
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

patents stripe