CID 853039

3-(4-bromobenzyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C15H11BrN2O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)9-18-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,10H,9H2
InChIKey
MWUCVDVCPXPOCN-UHFFFAOYSA-N
Compound name
3-[(4-bromophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.012776 161.3
[M+Na]+ 336.994718 174.2
[M-H]- 312.998224 169.0
[M+NH4]+ 332.039323 178.1
[M+K]+ 352.968658 161.5
[M+H-H2O]+ 297.002760 159.2
[M+HCOO]- 359.003701 180.4
[M+CH3COO]- 373.019351 175.2
[M+Na-2H]- 334.980166 170.5
[M]+ 314.00495142 180.8
[M]- 314.00604858 180.8
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.