CID 6327895

Nsc205358

Structural Information

Molecular Formula
C9H13N4O4Se
SMILES
C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=N)[Se]
InChI
InChI=1S/C9H13N4O4Se/c10-7-4(8(11)18)12-2-13(7)9-6(16)5(15)3(1-14)17-9/h2-3,5-6,9,11,14-16H,1,10H2
InChIKey
GFRWIKCBCRTRRU-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01748 169.0
[M+Na]+ 343.99942 175.3
[M-H]- 320.00292 170.1
[M+NH4]+ 339.04402 182.2
[M+K]+ 359.97336 172.9
[M+H-H2O]+ 304.00746 161.6
[M+HCOO]- 366.00840 185.8
[M+CH3COO]- 380.02405 196.3
[M+Na-2H]- 341.98487 166.0
[M]+ 321.00965 165.4
[M]- 321.01075 165.4
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.