CID 63824

69557-32-0

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)NC3=O
InChI
InChI=1S/C14H13N3O3/c1-8-15-10-5-3-2-4-9(10)14(20)17(8)11-6-7-12(18)16-13(11)19/h2-5,11H,6-7H2,1H3,(H,16,18,19)
InChIKey
RKAGXGJVJCKBPG-UHFFFAOYSA-N
Compound name
3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

271.0957 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 162.0
[M+Na]+ 294.08492 171.7
[M-H]- 270.08842 164.5
[M+NH4]+ 289.12952 174.6
[M+K]+ 310.05886 166.0
[M+H-H2O]+ 254.09296 152.5
[M+HCOO]- 316.09390 177.2
[M+CH3COO]- 330.10955 172.6
[M+Na-2H]- 292.07037 166.0
[M]+ 271.09515 159.3
[M]- 271.09625 159.3
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

patents stripe