CID 3053155

69557-22-8

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H17N3O4/c1-12-21-16-5-3-2-4-15(16)19(26)22(12)17-10-11-18(25)23(20(17)27)13-6-8-14(24)9-7-13/h2-9,17,24H,10-11H2,1H3
InChIKey
ICIIQZSAXDOWMG-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12920 188.0
[M+Na]+ 386.11114 197.5
[M-H]- 362.11464 193.7
[M+NH4]+ 381.15574 196.3
[M+K]+ 402.08508 190.9
[M+H-H2O]+ 346.11918 176.3
[M+HCOO]- 408.12012 202.1
[M+CH3COO]- 422.13577 197.0
[M+Na-2H]- 384.09659 189.6
[M]+ 363.12137 186.6
[M]- 363.12247 186.6
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.