CID 829638

302913-46-8

Structural Information

Molecular Formula
C15H10BrClN2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Br)Cl
InChI
InChI=1S/C15H10BrClN2O/c16-11-5-6-14-12(7-11)15(20)19(9-18-14)8-10-3-1-2-4-13(10)17/h1-7,9H,8H2
InChIKey
VGSDNIQAOQFDMN-UHFFFAOYSA-N
Compound name
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9665 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97378 165.8
[M+Na]+ 370.95572 180.5
[M-H]- 346.95922 173.7
[M+NH4]+ 366.00032 182.5
[M+K]+ 386.92966 166.3
[M+H-H2O]+ 330.96376 164.2
[M+HCOO]- 392.96470 180.5
[M+CH3COO]- 406.98035 179.8
[M+Na-2H]- 368.94117 174.0
[M]+ 347.96595 187.8
[M]- 347.96705 187.8
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

No patent data available for this compound.