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]+ 378.144816 192.0
[M+Na]+ 400.126758 201.5
[M-H]- 376.130264 198.8
[M+NH4]+ 395.171363 200.4
[M+K]+ 416.100698 195.4
[M+H-H2O]+ 360.134800 179.6
[M+HCOO]- 422.135741 207.3
[M+CH3COO]- 436.151391 201.2
[M+Na-2H]- 398.112206 193.5
[M]+ 377.13699142 192.6
[M]- 377.13808858 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.