CID 540720

2,4-diamino-6-piperidinopyrido(3,2-d)pyrimidine

Structural Information

Molecular Formula
C12H16N6
SMILES
C1CCN(CC1)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C12H16N6/c13-11-10-8(15-12(14)17-11)4-5-9(16-10)18-6-2-1-3-7-18/h4-5H,1-3,6-7H2,(H4,13,14,15,17)
InChIKey
IMIFVIABNVGNKM-UHFFFAOYSA-N
Compound name
6-piperidin-1-ylpyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.14365 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15093 157.7
[M+Na]+ 267.13287 165.0
[M-H]- 243.13637 158.7
[M+NH4]+ 262.17747 169.5
[M+K]+ 283.10681 159.4
[M+H-H2O]+ 227.14091 147.2
[M+HCOO]- 289.14185 173.7
[M+CH3COO]- 303.15750 167.2
[M+Na-2H]- 265.11832 164.1
[M]+ 244.14310 150.7
[M]- 244.14420 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.