CID 3053156

69557-26-2

Structural Information

Molecular Formula
C21H18ClN3O3
SMILES
CC1=C(C=C(C=C1)N2C(=O)CCC(C2=O)N3C(=NC4=CC=CC=C4C3=O)C)Cl
InChI
InChI=1S/C21H18ClN3O3/c1-12-7-8-14(11-16(12)22)25-19(26)10-9-18(21(25)28)24-13(2)23-17-6-4-3-5-15(17)20(24)27/h3-8,11,18H,9-10H2,1-2H3
InChIKey
COPSVUTZPKLNEY-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-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

395.10367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11095 195.4
[M+Na]+ 418.09289 206.7
[M-H]- 394.09639 202.3
[M+NH4]+ 413.13749 204.4
[M+K]+ 434.06683 198.8
[M+H-H2O]+ 378.10093 183.7
[M+HCOO]- 440.10187 205.9
[M+CH3COO]- 454.11752 204.7
[M+Na-2H]- 416.07834 195.5
[M]+ 395.10312 197.4
[M]- 395.10422 197.4
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.