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 168.1
[M+Na]+ 316.14925 179.6
[M-H]- 292.15275 171.7
[M+NH4]+ 311.19385 182.3
[M+K]+ 332.12319 177.0
[M+H-H2O]+ 276.15729 158.8
[M+HCOO]- 338.15823 192.8
[M+CH3COO]- 352.17388 216.3
[M+Na-2H]- 314.13470 171.9
[M]+ 293.15948 174.0
[M]- 293.16058 174.0
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.