CID 6478377

1-[(2r,3r,5s)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-amino-5h-imidazo[5,4-e]1,3-diazepine-4,8-dione

Structural Information

Molecular Formula
C11H13N5O5
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2C(=O)NC(=NC3=O)N)CO
InChI
InChI=1S/C11H13N5O5/c12-11-14-8(19)6-7(9(20)15-11)16(3-13-6)10-5(18)1-4(2-17)21-10/h3-5,10,17-18H,1-2H2,(H3,12,14,15,19,20)/t4-,5+,10+/m0/s1
InChIKey
YOGKWSULAMGODA-LBACSGLVSA-N
Compound name
6-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.09167 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09895 165.7
[M+Na]+ 318.08089 175.3
[M-H]- 294.08439 168.5
[M+NH4]+ 313.12549 176.2
[M+K]+ 334.05483 176.0
[M+H-H2O]+ 278.08893 156.1
[M+HCOO]- 340.08987 181.3
[M+CH3COO]- 354.10552 175.8
[M+Na-2H]- 316.06634 165.8
[M]+ 295.09112 163.3
[M]- 295.09222 163.3
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.