CID 22308484

1314723-39-1

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1CNCC2=CN=C(N=C21)Cl
InChI
InChI=1S/C7H8ClN3/c8-7-10-4-5-3-9-2-1-6(5)11-7/h4,9H,1-3H2
InChIKey
AFGGDJZHKDARGC-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

169.04068 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04796 132.3
[M+Na]+ 192.02990 141.3
[M-H]- 168.03340 130.7
[M+NH4]+ 187.07450 149.8
[M+K]+ 208.00384 136.4
[M+H-H2O]+ 152.03794 124.9
[M+HCOO]- 214.03888 144.3
[M+CH3COO]- 228.05453 144.1
[M+Na-2H]- 190.01535 141.1
[M]+ 169.04013 129.3
[M]- 169.04123 129.3
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