CID 6481746

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

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CC=NC(=C)C1=NN(C(=N1)C2=CC=CC(=C2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C18H22N4O4/c1-4-19-11(3)16-20-17(12-7-5-6-10(2)8-12)22(21-16)18-15(25)14(24)13(9-23)26-18/h4-8,13-15,18,23-25H,3,9H2,1-2H3/t13-,14-,15-,18-/m1/s1
InChIKey
BYSUXYUXDPREFG-ATNYBXOESA-N
Compound name
(2R,3R,4S,5R)-2-[3-[1-(ethylideneamino)ethenyl]-5-(3-methylphenyl)-1,2,4-triazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1641 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 185.9
[M+Na]+ 381.15332 193.2
[M-H]- 357.15682 191.2
[M+NH4]+ 376.19792 195.5
[M+K]+ 397.12726 189.3
[M+H-H2O]+ 341.16136 177.4
[M+HCOO]- 403.16230 202.3
[M+CH3COO]- 417.17795 213.7
[M+Na-2H]- 379.13877 182.0
[M]+ 358.16355 186.5
[M]- 358.16465 186.5
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.