CID 3053152

69557-18-2

Structural Information

Molecular Formula
C22H21N3O3
SMILES
CC1=CC(=C(C=C1)C)N2C(=O)CCC(C2=O)N3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C22H21N3O3/c1-13-8-9-14(2)19(12-13)25-20(26)11-10-18(22(25)28)24-15(3)23-17-7-5-4-6-16(17)21(24)27/h4-9,12,18H,10-11H2,1-3H3
InChIKey
UZLLIKPVCJBENR-UHFFFAOYSA-N
Compound name
1-(2,5-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 194.1
[M+Na]+ 398.14752 204.3
[M-H]- 374.15102 201.1
[M+NH4]+ 393.19212 203.0
[M+K]+ 414.12146 197.3
[M+H-H2O]+ 358.15556 182.0
[M+HCOO]- 420.15650 208.9
[M+CH3COO]- 434.17215 203.4
[M+Na-2H]- 396.13297 194.2
[M]+ 375.15775 194.1
[M]- 375.15885 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.