CID 3053150

69557-16-0

Structural Information

Molecular Formula
C22H21N3O3
SMILES
CC1=C(C=C(C=C1)N2C(=O)CCC(C2=O)N3C(=NC4=CC=CC=C4C3=O)C)C
InChI
InChI=1S/C22H21N3O3/c1-13-8-9-16(12-14(13)2)25-20(26)11-10-19(22(25)28)24-15(3)23-18-7-5-4-6-17(18)21(24)27/h4-9,12,19H,10-11H2,1-3H3
InChIKey
FRGLZTZLQLQWBI-UHFFFAOYSA-N
Compound name
1-(3,4-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]+ 376.165576 194.1
[M+Na]+ 398.147518 204.3
[M-H]- 374.151024 201.1
[M+NH4]+ 393.192123 203.0
[M+K]+ 414.121458 197.3
[M+H-H2O]+ 358.155560 182.0
[M+HCOO]- 420.156501 208.9
[M+CH3COO]- 434.172151 203.4
[M+Na-2H]- 396.132966 194.2
[M]+ 375.15775142 194.1
[M]- 375.15884858 194.1
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.