CID 135408795

6-bromo-2-methylquinazolin-4(3h)-one

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

88
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 140.7
[M+Na]+ 260.96340 146.4
[M+NH4]+ 256.00800 145.6
[M+K]+ 276.93734 145.8
[M-H]- 236.96690 140.9
[M+Na-2H]- 258.94885 144.8
[M]+ 237.97363 140.5
[M]- 237.97473 140.5
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

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