CID 158379

4-nrib-ppo

Structural Information

Molecular Formula
C11H14N4O5
SMILES
C1=CN(C2=C1C(=NNC2=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O5/c12-9-4-1-2-15(6(4)10(19)14-13-9)11-8(18)7(17)5(3-16)20-11/h1-2,5,7-8,11,16-18H,3H2,(H2,12,13)(H,14,19)/t5-,7-,8-,11-/m1/s1
InChIKey
AGGPCPMMPFBBII-IOSLPCCCSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-pyrrolo[2,3-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

282.0964 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 160.1
[M+Na]+ 305.08562 170.4
[M-H]- 281.08912 161.1
[M+NH4]+ 300.13022 172.7
[M+K]+ 321.05956 166.5
[M+H-H2O]+ 265.09366 153.6
[M+HCOO]- 327.09460 175.9
[M+CH3COO]- 341.11025 170.8
[M+Na-2H]- 303.07107 160.7
[M]+ 282.09585 159.5
[M]- 282.09695 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe