CID 135524757

Chembl373362

Structural Information

Molecular Formula
C11H15N7O5
SMILES
C1=C(C2=C(N=NN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)/C(=N/O)/N
InChI
InChI=1S/C11H15N7O5/c12-8(16-22)3-1-18(10-5(3)9(13)14-17-15-10)11-7(21)6(20)4(2-19)23-11/h1,4,6-7,11,19-22H,2H2,(H2,12,16)(H2,13,14,15)/t4-,6-,7-,11-/m1/s1
InChIKey
LLPXQLWVUXIIRE-RPKMEZRRSA-N
Compound name
4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxypyrrolo[2,3-d]triazine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.11346 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12074 169.8
[M+Na]+ 348.10268 178.1
[M-H]- 324.10618 170.9
[M+NH4]+ 343.14728 178.9
[M+K]+ 364.07662 175.7
[M+H-H2O]+ 308.11072 161.8
[M+HCOO]- 370.11166 186.3
[M+CH3COO]- 384.12731 209.3
[M+Na-2H]- 346.08813 170.4
[M]+ 325.11291 168.5
[M]- 325.11401 168.5
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.