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]+ 176.09308 137.4
[M+Na]+ 198.07502 148.2
[M-H]- 174.07852 138.1
[M+NH4]+ 193.11962 154.3
[M+K]+ 214.04896 144.1
[M+H-H2O]+ 158.08306 129.5
[M+HCOO]- 220.08400 159.1
[M+CH3COO]- 234.09965 150.2
[M+Na-2H]- 196.06047 146.2
[M]+ 175.08525 135.3
[M]- 175.08635 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