CID 1313735

403736-15-2

Structural Information

Molecular Formula
C22H17N3O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C22H17N3O3/c26-21(14-25-15-23-20-9-5-4-8-19(20)22(25)27)24-16-10-12-18(13-11-16)28-17-6-2-1-3-7-17/h1-13,15H,14H2,(H,24,26)
InChIKey
MBHYQGDTPWWTDZ-UHFFFAOYSA-N
Compound name
2-(4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

371.12698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13426 187.9
[M+Na]+ 394.11620 204.8
[M+NH4]+ 389.16080 195.0
[M+K]+ 410.09014 195.7
[M-H]- 370.11970 194.4
[M+Na-2H]- 392.10165 199.1
[M]+ 371.12643 192.2
[M]- 371.12753 192.2
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

patents stripe