CID 6481749

1h-1,2,4-triazole, 3-[1-[(1e)-ethylideneamino]ethenyl]-1-d-glucopyranosyl-5-phenyl-

Structural Information

Molecular Formula
C18H22N4O5
SMILES
CC=NC(=C)C1=NN(C(=N1)C2=CC=CC=C2)C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C18H22N4O5/c1-3-19-10(2)16-20-17(11-7-5-4-6-8-11)22(21-16)18-15(26)14(25)13(24)12(9-23)27-18/h3-8,12-15,18,23-26H,2,9H2,1H3/t12-,13-,14+,15-,18?/m1/s1
InChIKey
JBFPQSVPECOEQH-WWLSQLEVSA-N
Compound name
(3R,4S,5S,6R)-2-[3-[1-(ethylideneamino)ethenyl]-5-phenyl-1,2,4-triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.15903 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16631 190.1
[M+Na]+ 397.14825 195.9
[M-H]- 373.15175 193.2
[M+NH4]+ 392.19285 196.1
[M+K]+ 413.12219 191.7
[M+H-H2O]+ 357.15629 180.5
[M+HCOO]- 419.15723 202.7
[M+CH3COO]- 433.17288 214.7
[M+Na-2H]- 395.13370 187.4
[M]+ 374.15848 187.9
[M]- 374.15958 187.9
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.