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]+ 372.134256 187.3
[M+Na]+ 394.116198 194.5
[M-H]- 370.119704 195.0
[M+NH4]+ 389.160803 196.2
[M+K]+ 410.090138 188.3
[M+H-H2O]+ 354.124240 175.1
[M+HCOO]- 416.125181 207.8
[M+CH3COO]- 430.140831 196.7
[M+Na-2H]- 392.101646 194.0
[M]+ 371.12643142 188.3
[M]- 371.12752858 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