CID 132117149

3-(8-amino-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C14H14N4O3
SMILES
CC1=NC2=C(C=CC=C2N)C(=O)N1C3CCC(=O)NC3=O
InChI
InChI=1S/C14H14N4O3/c1-7-16-12-8(3-2-4-9(12)15)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
InChIKey
WIWHRLMHMXRUBV-UHFFFAOYSA-N
Compound name
3-(8-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

286.1066 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 167.2
[M+Na]+ 309.09582 177.0
[M-H]- 285.09932 169.6
[M+NH4]+ 304.14042 178.9
[M+K]+ 325.06976 171.0
[M+H-H2O]+ 269.10386 157.9
[M+HCOO]- 331.10480 182.8
[M+CH3COO]- 345.12045 202.7
[M+Na-2H]- 307.08127 170.0
[M]+ 286.10605 163.4
[M]- 286.10715 163.4
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

patents stripe