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 187.3
[M+Na]+ 394.11620 194.5
[M-H]- 370.11970 195.0
[M+NH4]+ 389.16080 196.2
[M+K]+ 410.09014 188.3
[M+H-H2O]+ 354.12424 175.1
[M+HCOO]- 416.12518 207.8
[M+CH3COO]- 430.14083 196.7
[M+Na-2H]- 392.10165 194.0
[M]+ 371.12643 188.3
[M]- 371.12753 188.3
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