CID 3053154

69557-20-6

Structural Information

Molecular Formula
C21H19N3O4
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H19N3O4/c1-13-22-17-6-4-3-5-16(17)20(26)23(13)18-11-12-19(25)24(21(18)27)14-7-9-15(28-2)10-8-14/h3-10,18H,11-12H2,1-2H3
InChIKey
MJHUHYFFAHCKLN-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-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

377.13754 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 192.0
[M+Na]+ 400.12676 201.5
[M-H]- 376.13026 198.8
[M+NH4]+ 395.17136 200.4
[M+K]+ 416.10070 195.4
[M+H-H2O]+ 360.13480 179.6
[M+HCOO]- 422.13574 207.3
[M+CH3COO]- 436.15139 201.2
[M+Na-2H]- 398.11221 193.5
[M]+ 377.13699 192.6
[M]- 377.13809 192.6
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.