CID 90486671

853318-90-8

Structural Information

Molecular Formula
C23H16BrN3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br
InChI
InChI=1S/C23H16BrN3O3/c24-16-10-11-19-18(12-16)23(30)27(14-25-19)13-21(28)26-20-9-5-4-8-17(20)22(29)15-6-2-1-3-7-15/h1-12,14H,13H2,(H,26,28)
InChIKey
VWFCNEWJMRUJCG-UHFFFAOYSA-N
Compound name
N-(2-benzoylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.0375 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.04478 199.0
[M+Na]+ 484.02672 208.1
[M-H]- 460.03022 208.8
[M+NH4]+ 479.07132 208.3
[M+K]+ 500.00066 195.2
[M+H-H2O]+ 444.03476 194.1
[M+HCOO]- 506.03570 215.8
[M+CH3COO]- 520.05135 209.1
[M+Na-2H]- 482.01217 203.9
[M]+ 461.03695 217.8
[M]- 461.03805 217.8
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.