CID 478827

3-(3,4-dichlorophenyl)quinazoline-2,4(1h,3h)-dione

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

305.99628 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00356 161.5
[M+Na]+ 328.98550 175.1
[M-H]- 304.98900 165.4
[M+NH4]+ 324.03010 175.9
[M+K]+ 344.95944 166.8
[M+H-H2O]+ 288.99354 154.0
[M+HCOO]- 350.99448 172.3
[M+CH3COO]- 365.01013 173.5
[M+Na-2H]- 326.97095 167.3
[M]+ 305.99573 165.3
[M]- 305.99683 165.3
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.