CID 376405

Nsc657315

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1C(C(=O)NC(=O)N1CCC2=CN=CN2)C(=N)N
InChI
InChI=1S/C10H14N6O2/c11-8(12)7-4-16(10(18)15-9(7)17)2-1-6-3-13-5-14-6/h3,5,7H,1-2,4H2,(H3,11,12)(H,13,14)(H,15,17,18)
InChIKey
XIOMHZQVNWZDNE-UHFFFAOYSA-N
Compound name
1-[2-(1H-imidazol-5-yl)ethyl]-2,4-dioxo-1,3-diazinane-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11783 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 157.9
[M+Na]+ 273.10705 163.6
[M-H]- 249.11055 156.3
[M+NH4]+ 268.15165 168.8
[M+K]+ 289.08099 158.6
[M+H-H2O]+ 233.11509 148.5
[M+HCOO]- 295.11603 173.1
[M+CH3COO]- 309.13168 193.3
[M+Na-2H]- 271.09250 158.3
[M]+ 250.11728 149.4
[M]- 250.11838 149.4
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.