CID 50586

69557-23-9

Structural Information

Molecular Formula
C21H17N3O5
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C21H17N3O5/c1-12-22-16-5-3-2-4-15(16)19(26)23(12)17-10-11-18(25)24(20(17)27)14-8-6-13(7-9-14)21(28)29/h2-9,17H,10-11H2,1H3,(H,28,29)
InChIKey
ZBPIVKXLYMHYHV-UHFFFAOYSA-N
Compound name
4-[3-(2-methyl-4-oxoquinazolin-3-yl)-2,6-dioxopiperidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.11682 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12410 191.6
[M+Na]+ 414.10604 206.9
[M+NH4]+ 409.15064 196.3
[M+K]+ 430.07998 200.8
[M-H]- 390.10954 194.8
[M+Na-2H]- 412.09149 197.7
[M]+ 391.11627 194.5
[M]- 391.11737 194.5
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.