CID 3069883

85460-98-6

Structural Information

Molecular Formula
C12H19N7O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN=C(N)N(C)C
InChI
InChI=1S/C12H19N7O2/c1-16(2)11(13)14-5-6-19-7-15-9-8(19)10(20)18(4)12(21)17(9)3/h7H,5-6H2,1-4H3,(H2,13,14)
InChIKey
HGLCVOOXRBRMNF-UHFFFAOYSA-N
Compound name
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16003 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16731 165.8
[M+Na]+ 316.14925 176.2
[M+NH4]+ 311.19385 169.8
[M+K]+ 332.12319 174.5
[M-H]- 292.15275 165.8
[M+Na-2H]- 314.13470 169.0
[M]+ 293.15948 166.7
[M]- 293.16058 166.7
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

No patent data available for this compound.