CID 453768

4nh2-3conh2-ribopyrazole

Structural Information

Molecular Formula
C9H14N4O5
SMILES
C1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)N
InChI
InChI=1S/C9H14N4O5/c10-3-1-13(12-5(3)8(11)17)9-7(16)6(15)4(2-14)18-9/h1,4,6-7,9,14-16H,2,10H2,(H2,11,17)/t4-,6-,7-,9-/m1/s1
InChIKey
IYDPATBEXYOECS-FJGDRVTGSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.0964 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10368 155.1
[M+Na]+ 281.08562 162.0
[M-H]- 257.08912 156.4
[M+NH4]+ 276.13022 168.4
[M+K]+ 297.05956 160.5
[M+H-H2O]+ 241.09366 148.3
[M+HCOO]- 303.09460 172.4
[M+CH3COO]- 317.11025 193.1
[M+Na-2H]- 279.07107 153.0
[M]+ 258.09585 151.6
[M]- 258.09695 151.6
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

No patent data available for this compound.