CID 492201

Nhmbojubucrtii-hbntykkesa-n

Structural Information

Molecular Formula
C12H11Cl2N5O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=CC(=C(C=C3N=C2N=[N+]=[N-])Cl)Cl)CO)O
InChI
InChI=1S/C12H11Cl2N5O3/c13-5-1-7-8(2-6(5)14)19(12(16-7)17-18-15)11-3-9(21)10(4-20)22-11/h1-2,9-11,20-21H,3-4H2/t9-,10+,11+/m0/s1
InChIKey
NHMBOJUBUCRTII-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(2-azido-5,6-dichlorobenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

343.0239 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.03118 180.1
[M+Na]+ 366.01312 189.5
[M-H]- 342.01662 185.6
[M+NH4]+ 361.05772 194.1
[M+K]+ 381.98706 180.1
[M+H-H2O]+ 326.02116 177.5
[M+HCOO]- 388.02210 195.0
[M+CH3COO]- 402.03775 205.7
[M+Na-2H]- 363.99857 184.3
[M]+ 343.02335 182.2
[M]- 343.02445 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe