CID 154634016

1-(5-amino-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione

Structural Information

Molecular Formula
C15H14N4O3
SMILES
CC1=NC2=CC=CC(=C2C(=O)N1C34CC(C3)C(=O)NC4=O)N
InChI
InChI=1S/C15H14N4O3/c1-7-17-10-4-2-3-9(16)11(10)13(21)19(7)15-5-8(6-15)12(20)18-14(15)22/h2-4,8H,5-6,16H2,1H3,(H,18,20,22)
InChIKey
NTIWCTCZQZUDBP-UHFFFAOYSA-N
Compound name
1-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.1066 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.113876 179.9
[M+Na]+ 321.095818 187.9
[M-H]- 297.099324 177.8
[M+NH4]+ 316.140423 190.6
[M+K]+ 337.069758 186.2
[M+H-H2O]+ 281.103860 166.2
[M+HCOO]- 343.104801 187.9
[M+CH3COO]- 357.120451 187.6
[M+Na-2H]- 319.081266 187.8
[M]+ 298.10605142 190.0
[M]- 298.10714858 190.0
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.