CID 5274355

D-arabinitol, 1-c-[5-(aminocarbonyl)-3-pyridinyl]-1,4-anhydro-, (1s)-

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=C(C=NC=C1C(=O)N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H14N2O5/c12-11(17)6-1-5(2-13-3-6)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
UBWZUUUKBOMAPO-IMSYWVGJSA-N
Compound name
5-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 155.0
[M+Na]+ 277.07949 161.7
[M-H]- 253.08299 157.2
[M+NH4]+ 272.12409 168.5
[M+K]+ 293.05343 159.7
[M+H-H2O]+ 237.08753 148.3
[M+HCOO]- 299.08847 172.0
[M+CH3COO]- 313.10412 189.4
[M+Na-2H]- 275.06494 155.2
[M]+ 254.08972 152.2
[M]- 254.09082 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.