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]+ 314.098276 167.2
[M+Na]+ 336.080218 170.9
[M-H]- 312.083724 167.9
[M+NH4]+ 331.124823 175.1
[M+K]+ 352.054158 170.0
[M+H-H2O]+ 296.088260 158.9
[M+HCOO]- 358.089201 181.3
[M+CH3COO]- 372.104851 202.1
[M+Na-2H]- 334.065666 168.5
[M]+ 313.09045142 162.7
[M]- 313.09154858 162.7
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.