CID 25082900

Hmc-ho1.alpha.

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=NC3=C2C(=O)NNC3=O)CO)O
InChI
InChI=1S/C10H12N4O5/c15-2-5-4(16)1-6(19-5)14-3-11-7-8(14)10(18)13-12-9(7)17/h3-6,15-16H,1-2H2,(H,12,17)(H,13,18)/t4-,5+,6-/m0/s1
InChIKey
OOMUPVYCWQUGQX-JKUQZMGJSA-N
Compound name
3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.08078 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 156.1
[M+Na]+ 291.07000 167.1
[M-H]- 267.07350 156.0
[M+NH4]+ 286.11460 168.1
[M+K]+ 307.04394 163.0
[M+H-H2O]+ 251.07804 149.1
[M+HCOO]- 313.07898 170.6
[M+CH3COO]- 327.09463 166.9
[M+Na-2H]- 289.05545 157.6
[M]+ 268.08023 156.0
[M]- 268.08133 156.0
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.