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

0
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 167.2
[M+Na]+ 336.08022 170.9
[M-H]- 312.08372 167.9
[M+NH4]+ 331.12482 175.1
[M+K]+ 352.05416 170.0
[M+H-H2O]+ 296.08826 158.9
[M+HCOO]- 358.08920 181.3
[M+CH3COO]- 372.10485 202.1
[M+Na-2H]- 334.06567 168.5
[M]+ 313.09045 162.7
[M]- 313.09155 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.