CID 64063

Brn 0850593

Structural Information

Molecular Formula
C17H13Cl3N2O3
SMILES
CC1=NC2=C(C=C(C=C2Cl)Cl)C(=O)N1C3=CC(=C(C=C3OC)Cl)OC
InChI
InChI=1S/C17H13Cl3N2O3/c1-8-21-16-10(4-9(18)5-12(16)20)17(23)22(8)13-7-14(24-2)11(19)6-15(13)25-3/h4-7H,1-3H3
InChIKey
XARLDLZFKXESSP-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-(4-chloro-2,5-dimethoxyphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.99918 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.00646 182.8
[M+Na]+ 420.98840 197.1
[M-H]- 396.99190 187.1
[M+NH4]+ 416.03300 194.9
[M+K]+ 436.96234 190.5
[M+H-H2O]+ 380.99644 175.1
[M+HCOO]- 442.99738 188.5
[M+CH3COO]- 457.01303 193.6
[M+Na-2H]- 418.97385 184.3
[M]+ 397.99863 192.6
[M]- 397.99973 192.6
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

No patent data available for this compound.