CID 6481744

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

Structural Information

Molecular Formula
C17H20N4O4
SMILES
CC=NC(=C)C1=NN(C(=N1)C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C17H20N4O4/c1-3-18-10(2)15-19-16(11-7-5-4-6-8-11)21(20-15)17-14(24)13(23)12(9-22)25-17/h3-8,12-14,17,22-24H,2,9H2,1H3/t12-,13-,14-,17-/m1/s1
InChIKey
CRNIGOLJVXBWNQ-VMUDFCTBSA-N
Compound name
(2R,3R,4S,5R)-2-[3-[1-(ethylideneamino)ethenyl]-5-phenyl-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

344.14847 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 180.9
[M+Na]+ 367.137688 187.6
[M-H]- 343.141194 185.9
[M+NH4]+ 362.182293 190.7
[M+K]+ 383.111628 184.0
[M+H-H2O]+ 327.145730 172.1
[M+HCOO]- 389.146671 197.6
[M+CH3COO]- 403.162321 209.4
[M+Na-2H]- 365.123136 178.1
[M]+ 344.14792142 180.6
[M]- 344.14901858 180.6
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.