CID 453763

138787-00-5

Structural Information

Molecular Formula
C10H14N4O7
SMILES
CC1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O7/c1-3-6(14(19)20)5(9(11)18)12-13(3)10-8(17)7(16)4(2-15)21-10/h4,7-8,10,15-17H,2H2,1H3,(H2,11,18)/t4-,7-,8-,10-/m1/s1
InChIKey
BBZMBBLLWFGQLR-GUJHRGIASA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-nitropyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.08624 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09352 162.1
[M+Na]+ 325.07546 168.1
[M-H]- 301.07896 164.1
[M+NH4]+ 320.12006 173.3
[M+K]+ 341.04940 163.0
[M+H-H2O]+ 285.08350 160.2
[M+HCOO]- 347.08444 179.7
[M+CH3COO]- 361.10009 193.1
[M+Na-2H]- 323.06091 162.9
[M]+ 302.08569 159.2
[M]- 302.08679 159.2
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.