CID 135741601

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

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CNCC2=C1C(=O)NC=N2
InChI
InChI=1S/C7H9N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h4,8H,1-3H2,(H,9,10,11)
InChIKey
DVHCRTQZUZFLAY-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

151.07455 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.5
[M+Na]+ 174.06377 138.6
[M-H]- 150.06727 127.9
[M+NH4]+ 169.10837 147.1
[M+K]+ 190.03771 134.3
[M+H-H2O]+ 134.07181 123.0
[M+HCOO]- 196.07275 146.1
[M+CH3COO]- 210.08840 141.9
[M+Na-2H]- 172.04922 139.3
[M]+ 151.07400 124.6
[M]- 151.07510 124.6
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

patents stripe