CID 6481751

(3r,4s,5s,6r)-2-[3-[1-[(e)-ethylideneamino]vinyl]-5-(m-tolyl)-1,2,4-triazol-1-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Structural Information

Molecular Formula
C19H24N4O5
SMILES
CC=NC(=C)C1=NN(C(=N1)C2=CC=CC(=C2)C)C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C19H24N4O5/c1-4-20-11(3)17-21-18(12-7-5-6-10(2)8-12)23(22-17)19-16(27)15(26)14(25)13(9-24)28-19/h4-8,13-16,19,24-27H,3,9H2,1-2H3/t13-,14-,15+,16-,19?/m1/s1
InChIKey
TYAUMXBFANQQDL-UBVAMTOKSA-N
Compound name
(3R,4S,5S,6R)-2-[3-[1-(ethylideneamino)ethenyl]-5-(3-methylphenyl)-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

388.17468 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18196 195.3
[M+Na]+ 411.16390 201.6
[M-H]- 387.16740 198.7
[M+NH4]+ 406.20850 201.0
[M+K]+ 427.13784 197.2
[M+H-H2O]+ 371.17194 185.9
[M+HCOO]- 433.17288 207.5
[M+CH3COO]- 447.18853 219.0
[M+Na-2H]- 409.14935 191.4
[M]+ 388.17413 194.0
[M]- 388.17523 194.0
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.