CID 135555612

7-bromo-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC2=C(C=C1Br)N=CNC2=O
InChI
InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKey
FUGKKMYSCAYXJJ-UHFFFAOYSA-N
Compound name
7-bromo-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

223.95853 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 134.5
[M+Na]+ 246.94775 148.3
[M-H]- 222.95125 138.5
[M+NH4]+ 241.99235 154.5
[M+K]+ 262.92169 136.2
[M+H-H2O]+ 206.95579 134.4
[M+HCOO]- 268.95673 153.4
[M+CH3COO]- 282.97238 149.8
[M+Na-2H]- 244.93320 145.6
[M]+ 223.95798 152.4
[M]- 223.95908 152.4
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