CID 132059611

8-methylpyrido(3,2-d)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C8H9N5
SMILES
CC1=C2C(=NC=C1)C(=NC(=N2)N)N
InChI
InChI=1S/C8H9N5/c1-4-2-3-11-6-5(4)12-8(10)13-7(6)9/h2-3H,1H3,(H4,9,10,12,13)
InChIKey
KBYZYONAAPHCFD-UHFFFAOYSA-N
Compound name
8-methylpyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.0858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.093076 137.4
[M+Na]+ 198.075018 148.2
[M-H]- 174.078524 138.1
[M+NH4]+ 193.119623 154.3
[M+K]+ 214.048958 144.1
[M+H-H2O]+ 158.083060 129.5
[M+HCOO]- 220.084001 159.1
[M+CH3COO]- 234.099651 150.2
[M+Na-2H]- 196.060466 146.2
[M]+ 175.08525142 135.3
[M]- 175.08634858 135.3
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