CID 219976

6631-62-5

Structural Information

Molecular Formula
C13H20N2O7
SMILES
C1=CC=C(C=C1)NNC(=O)C(C(C(C(C(CO)O)O)O)O)O
InChI
InChI=1S/C13H20N2O7/c16-6-8(17)9(18)10(19)11(20)12(21)13(22)15-14-7-4-2-1-3-5-7/h1-5,8-12,14,16-21H,6H2,(H,15,22)
InChIKey
FKWVLNZRINUMNV-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7-hexahydroxy-N'-phenylheptanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.12704 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13432 169.9
[M+Na]+ 339.11626 169.0
[M-H]- 315.11976 164.3
[M+NH4]+ 334.16086 178.0
[M+K]+ 355.09020 168.8
[M+H-H2O]+ 299.12430 162.7
[M+HCOO]- 361.12524 181.7
[M+CH3COO]- 375.14089 199.9
[M+Na-2H]- 337.10171 166.5
[M]+ 316.12649 163.8
[M]- 316.12759 163.8
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.