CID 71220472

8-bromo-3,4-dihydroquinazolin-2(1h)-one

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1C2=C(C(=CC=C2)Br)NC(=O)N1
InChI
InChI=1S/C8H7BrN2O/c9-6-3-1-2-5-4-10-8(12)11-7(5)6/h1-3H,4H2,(H2,10,11,12)
InChIKey
FIJFLXMGAAQGEP-UHFFFAOYSA-N
Compound name
8-bromo-3,4-dihydro-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.97418 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 139.1
[M+Na]+ 248.96340 150.5
[M-H]- 224.96690 141.0
[M+NH4]+ 244.00800 158.1
[M+K]+ 264.93734 137.8
[M+H-H2O]+ 208.97144 139.0
[M+HCOO]- 270.97238 153.7
[M+CH3COO]- 284.98803 152.5
[M+Na-2H]- 246.94885 147.6
[M]+ 225.97363 152.5
[M]- 225.97473 152.5
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

patents stripe