CID 63760

Brn 0819661

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C(=C3)Cl)O)Cl
InChI
InChI=1S/C15H10Cl2N2O2/c1-8-18-13-5-3-2-4-10(13)15(21)19(8)9-6-11(16)14(20)12(17)7-9/h2-7,20H,1H3
InChIKey
SXIQCSQOGIZMFV-UHFFFAOYSA-N
Compound name
3-(3,5-dichloro-4-hydroxyphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.01193 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 166.7
[M+Na]+ 343.00115 180.4
[M-H]- 319.00465 170.8
[M+NH4]+ 338.04575 180.9
[M+K]+ 358.97509 172.7
[M+H-H2O]+ 303.00919 159.2
[M+HCOO]- 365.01013 177.0
[M+CH3COO]- 379.02578 178.5
[M+Na-2H]- 340.98660 171.3
[M]+ 320.01138 171.9
[M]- 320.01248 171.9
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.