CID 135408955

3649-42-1

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CC2=C(NC1)N=CNC2=O
InChI
InChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h4H,1-3H2,(H2,8,9,10,11)
InChIKey
YJIRCOHLVHBXAK-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

151.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 130.5
[M+Na]+ 174.063768 138.6
[M-H]- 150.067274 127.9
[M+NH4]+ 169.108373 147.1
[M+K]+ 190.037708 134.3
[M+H-H2O]+ 134.071810 123.0
[M+HCOO]- 196.072751 146.1
[M+CH3COO]- 210.088401 141.9
[M+Na-2H]- 172.049216 139.3
[M]+ 151.07400142 124.6
[M]- 151.07509858 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