CID 3414977

302913-23-1

Structural Information

Molecular Formula
C15H10Br2N2O
SMILES
C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)Br)Br
InChI
InChI=1S/C15H10Br2N2O/c16-11-3-1-10(2-4-11)8-19-9-18-14-6-5-12(17)7-13(14)15(19)20/h1-7,9H,8H2
InChIKey
KMOLCAFZKWUFHV-UHFFFAOYSA-N
Compound name
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.916 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.92328 157.9
[M+Na]+ 414.90522 169.5
[M-H]- 390.90872 165.9
[M+NH4]+ 409.94982 172.9
[M+K]+ 430.87916 154.1
[M+H-H2O]+ 374.91326 165.2
[M+HCOO]- 436.91420 172.2
[M+CH3COO]- 450.92985 171.0
[M+Na-2H]- 412.89067 166.0
[M]+ 391.91545 193.1
[M]- 391.91655 193.1
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.