CID 3053151

69557-17-1

Structural Information

Molecular Formula
C22H21N3O3
SMILES
CC1=CC(=C(C=C1)N2C(=O)CCC(C2=O)N3C(=NC4=CC=CC=C4C3=O)C)C
InChI
InChI=1S/C22H21N3O3/c1-13-8-9-18(14(2)12-13)25-20(26)11-10-19(22(25)28)24-15(3)23-17-7-5-4-6-16(17)21(24)27/h4-9,12,19H,10-11H2,1-3H3
InChIKey
VHBIXWRLBUZVOC-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-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

375.1583 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16558 192.4
[M+Na]+ 398.14752 209.7
[M+NH4]+ 393.19212 198.8
[M+K]+ 414.12146 201.3
[M-H]- 374.15102 197.5
[M+Na-2H]- 396.13297 199.7
[M]+ 375.15775 196.4
[M]- 375.15885 196.4
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.