CID 3768

Ns00115888

Structural Information

Molecular Formula
C12H15N3O7
SMILES
C1=CN=CC=C1C(=O)NNC2C(C(C(C(O2)C(=O)O)O)O)O
InChI
InChI=1S/C12H15N3O7/c16-6-7(17)9(12(20)21)22-11(8(6)18)15-14-10(19)5-1-3-13-4-2-5/h1-4,6-9,11,15-18H,(H,14,19)(H,20,21)
InChIKey
QVJOLLPKYFYTIH-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-6-[2-(pyridine-4-carbonyl)hydrazinyl]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

313.091 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09828 168.5
[M+Na]+ 336.08022 174.7
[M+NH4]+ 331.12482 170.8
[M+K]+ 352.05416 174.9
[M-H]- 312.08372 168.6
[M+Na-2H]- 334.06567 168.9
[M]+ 313.09045 168.5
[M]- 313.09155 168.5
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

No patent data available for this compound.