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]+ 315.01278 161.3
[M+Na]+ 336.99472 174.2
[M-H]- 312.99822 169.0
[M+NH4]+ 332.03932 178.1
[M+K]+ 352.96866 161.5
[M+H-H2O]+ 297.00276 159.2
[M+HCOO]- 359.00370 180.4
[M+CH3COO]- 373.01935 175.2
[M+Na-2H]- 334.98017 170.5
[M]+ 314.00495 180.8
[M]- 314.00605 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.