CID 6481748

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

Structural Information

Molecular Formula
C18H22N4O5
SMILES
CC=NC(=C)C1=NN(C(=N1)C2=CC(=CC=C2)OC)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C18H22N4O5/c1-4-19-10(2)16-20-17(11-6-5-7-12(8-11)26-3)22(21-16)18-15(25)14(24)13(9-23)27-18/h4-8,13-15,18,23-25H,2,9H2,1,3H3/t13-,14-,15-,18-/m1/s1
InChIKey
FNOAYKKYNFQBEZ-ATNYBXOESA-N
Compound name
(2R,3R,4S,5R)-2-[3-[1-(ethylideneamino)ethenyl]-5-(3-methoxyphenyl)-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

374.15903 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16631 187.8
[M+Na]+ 397.14825 194.7
[M-H]- 373.15175 193.1
[M+NH4]+ 392.19285 196.6
[M+K]+ 413.12219 191.6
[M+H-H2O]+ 357.15629 179.2
[M+HCOO]- 419.15723 204.3
[M+CH3COO]- 433.17288 216.0
[M+Na-2H]- 395.13370 184.2
[M]+ 374.15848 189.7
[M]- 374.15958 189.7
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.