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

1
Patents

167.0807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.087976 134.2
[M+Na]+ 190.069918 142.3
[M-H]- 166.073424 135.1
[M+NH4]+ 185.114523 150.9
[M+K]+ 206.043858 140.4
[M+H-H2O]+ 150.077960 126.5
[M+HCOO]- 212.078901 158.4
[M+CH3COO]- 226.094551 185.8
[M+Na-2H]- 188.055366 140.3
[M]+ 167.08015142 130.7
[M]- 167.08124858 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