CID 155893575

2227205-61-8

Structural Information

Molecular Formula
C7H6ClN3O
SMILES
C1CNC(=O)C2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H6ClN3O/c8-6-4-1-2-9-7(12)5(4)10-3-11-6/h3H,1-2H2,(H,9,12)
InChIKey
GWFJWPRIRPTDEV-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.01994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02722 134.6
[M+Na]+ 206.00916 144.7
[M-H]- 182.01266 133.5
[M+NH4]+ 201.05376 151.7
[M+K]+ 221.98310 139.8
[M+H-H2O]+ 166.01720 127.5
[M+HCOO]- 228.01814 147.0
[M+CH3COO]- 242.03379 146.7
[M+Na-2H]- 203.99461 142.7
[M]+ 183.01939 132.7
[M]- 183.02049 132.7
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.