CID 516057

2-azidomethyl-5-(2,5,6-trichloro-benzoimidazol-1-yl)-tetrahydro-furan-3,4-diol

Structural Information

Molecular Formula
C12H10Cl3N5O3
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O
InChI
InChI=1S/C12H10Cl3N5O3/c13-4-1-6-7(2-5(4)14)20(12(15)18-6)11-10(22)9(21)8(23-11)3-17-19-16/h1-2,8-11,21-22H,3H2/t8-,9-,10-,11-/m1/s1
InChIKey
SROWZQCSLLTUQL-GWOFURMSSA-N
Compound name
(2R,3S,4R,5R)-2-(azidomethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.98492 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.99220 190.7
[M+Na]+ 399.97414 200.2
[M-H]- 375.97764 194.7
[M+NH4]+ 395.01874 203.3
[M+K]+ 415.94808 190.7
[M+H-H2O]+ 359.98218 188.4
[M+HCOO]- 421.98312 199.7
[M+CH3COO]- 435.99877 211.6
[M+Na-2H]- 397.95959 192.5
[M]+ 376.98437 193.1
[M]- 376.98547 193.1
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.