CID 14844023

Schembl4270606

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=CN=C(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H14N2O5/c12-11(17)5-1-2-13-6(3-5)10-9(16)8(15)7(4-14)18-10/h1-3,7-10,14-16H,4H2,(H2,12,17)/t7-,8-,9-,10+/m1/s1
InChIKey
GVYLXYAXKHGNAX-KYXWUPHJSA-N
Compound name
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

254.09027 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.097546 155.0
[M+Na]+ 277.079488 161.7
[M-H]- 253.082994 157.2
[M+NH4]+ 272.124093 168.5
[M+K]+ 293.053428 159.7
[M+H-H2O]+ 237.087530 148.3
[M+HCOO]- 299.088471 172.0
[M+CH3COO]- 313.104121 189.4
[M+Na-2H]- 275.064936 155.2
[M]+ 254.08972142 152.2
[M]- 254.09081858 152.2
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

patents stripe