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]+ 307.003556 161.5
[M+Na]+ 328.985498 175.1
[M-H]- 304.989004 165.4
[M+NH4]+ 324.030103 175.9
[M+K]+ 344.959438 166.8
[M+H-H2O]+ 288.993540 154.0
[M+HCOO]- 350.994481 172.3
[M+CH3COO]- 365.010131 173.5
[M+Na-2H]- 326.970946 167.3
[M]+ 305.99573142 165.3
[M]- 305.99682858 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

literature stripe

Patent stripe

patents stripe