CID 3006931

1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-n-methyl-1h-[1,2,4]triazole-3-carboximidic acid methyl ester

Structural Information

Molecular Formula
C10H16N4O5
SMILES
CN=C(C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)OC
InChI
InChI=1S/C10H16N4O5/c1-11-9(18-2)8-12-4-14(13-8)10-7(17)6(16)5(3-15)19-10/h4-7,10,15-17H,3H2,1-2H3/t5-,6-,7-,10-/m1/s1
InChIKey
FXTCRRXYQABYOM-DAGMQNCNSA-N
Compound name
methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-methyl-1,2,4-triazole-3-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.11206 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11934 159.4
[M+Na]+ 295.10128 166.6
[M-H]- 271.10478 161.2
[M+NH4]+ 290.14588 172.4
[M+K]+ 311.07522 166.2
[M+H-H2O]+ 255.10932 151.8
[M+HCOO]- 317.11026 177.0
[M+CH3COO]- 331.12591 193.7
[M+Na-2H]- 293.08673 159.0
[M]+ 272.11151 160.7
[M]- 272.11261 160.7
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.