CID 478826

2400-96-6

Structural Information

Molecular Formula
C14H9BrN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H9BrN2O2/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKey
XPDBBMCHGYLCRP-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

315.98474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.99202 159.2
[M+Na]+ 338.97396 173.0
[M-H]- 314.97746 166.2
[M+NH4]+ 334.01856 175.4
[M+K]+ 354.94790 159.7
[M+H-H2O]+ 298.98200 157.5
[M+HCOO]- 360.98294 177.5
[M+CH3COO]- 374.99859 173.1
[M+Na-2H]- 336.95941 167.8
[M]+ 315.98419 177.8
[M]- 315.98529 177.8
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