CID 496516

Nsc692625

Structural Information

Molecular Formula
C10H12N4O3
SMILES
C1C[C@H](O[C@H]1CO)N2C=NC3=C2C=NNC3=O
InChI
InChI=1S/C10H12N4O3/c15-4-6-1-2-8(17-6)14-5-11-9-7(14)3-12-13-10(9)16/h3,5-6,8,15H,1-2,4H2,(H,13,16)/t6-,8+/m1/s1
InChIKey
OKXGAHUQRRLYHA-SVRRBLITSA-N
Compound name
3-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.098216 149.0
[M+Na]+ 259.080158 159.4
[M-H]- 235.083664 150.5
[M+NH4]+ 254.124763 163.3
[M+K]+ 275.054098 156.2
[M+H-H2O]+ 219.088200 140.9
[M+HCOO]- 281.089141 166.1
[M+CH3COO]- 295.104791 160.8
[M+Na-2H]- 257.065606 152.5
[M]+ 236.09039142 149.4
[M]- 236.09148858 149.4
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.