CID 91618094

Glucosazone

Structural Information

Molecular Formula
C18H22N4O4
SMILES
C1=CC=C(C=C1)N/N=C/C(=NNC2=CC=CC=C2)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C18H22N4O4/c23-12-16(24)18(26)17(25)15(22-21-14-9-5-2-6-10-14)11-19-20-13-7-3-1-4-8-13/h1-11,16-18,20-21,23-26H,12H2/b19-11+,22-15?/t16-,17-,18-/m1/s1
InChIKey
BZVNQJMWJJOFFB-UGSZPUKBSA-N
Compound name
(2R,3S,4R,6E)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

358.1641 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 180.7
[M+Na]+ 381.15332 180.1
[M-H]- 357.15682 183.5
[M+NH4]+ 376.19792 189.3
[M+K]+ 397.12726 177.9
[M+H-H2O]+ 341.16136 171.2
[M+HCOO]- 403.16230 202.0
[M+CH3COO]- 417.17795 219.4
[M+Na-2H]- 379.13877 183.2
[M]+ 358.16355 176.2
[M]- 358.16465 176.2
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

patents stripe