CID 136380778

7-acetyl-3h,4h,5h,6h,7h,8h-pyrido[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CC(=O)N1CCC2=C(C1)N=CNC2=O
InChI
InChI=1S/C9H11N3O2/c1-6(13)12-3-2-7-8(4-12)10-5-11-9(7)14/h5H,2-4H2,1H3,(H,10,11,14)
InChIKey
MJBLEBUIYYUFGR-UHFFFAOYSA-N
Compound name
7-acetyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 141.1
[M+Na]+ 216.07435 149.7
[M-H]- 192.07785 140.2
[M+NH4]+ 211.11895 157.0
[M+K]+ 232.04829 146.3
[M+H-H2O]+ 176.08239 133.3
[M+HCOO]- 238.08333 156.9
[M+CH3COO]- 252.09898 180.2
[M+Na-2H]- 214.05980 147.4
[M]+ 193.08458 138.2
[M]- 193.08568 138.2
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.