CID 135408795

6-bromo-2-methylquinazolin-4-ol

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1
InChI
InChI=1S/C9H7BrN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKey
MNYWPPKPTICBPZ-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

237.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 139.1
[M+Na]+ 260.96340 153.3
[M-H]- 236.96690 143.3
[M+NH4]+ 256.00800 158.9
[M+K]+ 276.93734 141.0
[M+H-H2O]+ 220.97144 138.9
[M+HCOO]- 282.97238 157.6
[M+CH3COO]- 296.98803 154.2
[M+Na-2H]- 258.94885 148.9
[M]+ 237.97363 157.6
[M]- 237.97473 157.6
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