CID 24212696

853318-75-9

Structural Information

Molecular Formula
C22H16BrN3O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br
InChI
InChI=1S/C22H16BrN3O3/c23-15-6-11-20-19(12-15)22(28)26(14-24-20)13-21(27)25-16-7-9-18(10-8-16)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,25,27)
InChIKey
PFFJUVIUALVPAQ-UHFFFAOYSA-N
Compound name
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.0375 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.04478 195.9
[M+Na]+ 472.02672 205.6
[M-H]- 448.03022 205.8
[M+NH4]+ 467.07132 205.9
[M+K]+ 488.00066 192.8
[M+H-H2O]+ 432.03476 191.0
[M+HCOO]- 494.03570 213.8
[M+CH3COO]- 508.05135 206.5
[M+Na-2H]- 470.01217 202.3
[M]+ 449.03695 215.6
[M]- 449.03805 215.6
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.