CID 112692990

4-amino-2-(methylamino)pyrimidine-5-carboxamide

Structural Information

Molecular Formula
C6H9N5O
SMILES
CNC1=NC=C(C(=N1)N)C(=O)N
InChI
InChI=1S/C6H9N5O/c1-9-6-10-2-3(5(8)12)4(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,10,11)
InChIKey
VMUKAXPKUFNYLB-UHFFFAOYSA-N
Compound name
4-amino-2-(methylamino)pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08798 134.2
[M+Na]+ 190.06992 142.3
[M-H]- 166.07342 135.1
[M+NH4]+ 185.11452 150.9
[M+K]+ 206.04386 140.4
[M+H-H2O]+ 150.07796 126.5
[M+HCOO]- 212.07890 158.4
[M+CH3COO]- 226.09455 185.8
[M+Na-2H]- 188.05537 140.3
[M]+ 167.08015 130.7
[M]- 167.08125 130.7
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

patents stripe