CID 63377

3-(4-bromophenyl)-2-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C15H11BrN2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2O/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12/h2-9H,1H3
InChIKey
HNDXCNZDFXGBRU-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4
Patents

314.0055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.012776 161.3
[M+Na]+ 336.994718 175.1
[M-H]- 312.998224 169.5
[M+NH4]+ 332.039323 178.5
[M+K]+ 352.968658 162.4
[M+H-H2O]+ 297.002760 159.4
[M+HCOO]- 359.003701 180.4
[M+CH3COO]- 373.019351 175.6
[M+Na-2H]- 334.980166 169.9
[M]+ 314.00495142 181.3
[M]- 314.00604858 181.3
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