CID 9574258

4etophcon2 gluc

Structural Information

Molecular Formula
C15H22N2O7
SMILES
CCOC1=CC=C(C=C1)C(=O)N/N=C\C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C15H22N2O7/c1-2-24-10-5-3-9(4-6-10)15(23)17-16-7-11(19)13(21)14(22)12(20)8-18/h3-7,11-14,18-22H,2,8H2,1H3,(H,17,23)/b16-7-
InChIKey
HUFUGVLFCQLFHW-APSNUPSMSA-N
Compound name
4-ethoxy-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1427 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14998 177.7
[M+Na]+ 365.13192 178.3
[M-H]- 341.13542 174.9
[M+NH4]+ 360.17652 186.6
[M+K]+ 381.10586 177.9
[M+H-H2O]+ 325.13996 170.0
[M+HCOO]- 387.14090 193.0
[M+CH3COO]- 401.15655 208.4
[M+Na-2H]- 363.11737 174.9
[M]+ 342.14215 176.3
[M]- 342.14325 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.