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]+ 345.15575 180.9
[M+Na]+ 367.13769 187.6
[M-H]- 343.14119 185.9
[M+NH4]+ 362.18229 190.7
[M+K]+ 383.11163 184.0
[M+H-H2O]+ 327.14573 172.1
[M+HCOO]- 389.14667 197.6
[M+CH3COO]- 403.16232 209.4
[M+Na-2H]- 365.12314 178.1
[M]+ 344.14792 180.6
[M]- 344.14902 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.