CID 5278277

7h-pyrrolo[2,3-d]-1,2,3-triazine-5-carbohydrazonamide, 4-amino-7-b-d-ribofuranosyl-

Structural Information

Molecular Formula
C11H16N8O4
SMILES
C1=C(C2=C(N=NN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=NN)N
InChI
InChI=1S/C11H16N8O4/c12-8(15-14)3-1-19(10-5(3)9(13)16-18-17-10)11-7(22)6(21)4(2-20)23-11/h1,4,6-7,11,20-22H,2,14H2,(H2,12,15)(H2,13,16,17)/t4-,6-,7-,11-/m1/s1
InChIKey
NANKPIVEHJZUNO-RPKMEZRRSA-N
Compound name
N',4-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]triazine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.12946 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13674 170.0
[M+Na]+ 347.11868 178.2
[M-H]- 323.12218 172.1
[M+NH4]+ 342.16328 179.4
[M+K]+ 363.09262 175.7
[M+H-H2O]+ 307.12672 161.5
[M+HCOO]- 369.12766 188.3
[M+CH3COO]- 383.14331 214.1
[M+Na-2H]- 345.10413 170.8
[M]+ 324.12891 167.6
[M]- 324.13001 167.6
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.