CID 492199

5-(2-chloro-5,6-dimethyl-benzoimidazol-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol

Structural Information

Molecular Formula
C14H17ClN2O3
SMILES
CC1=CC2=C(C=C1C)N(C(=N2)Cl)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C14H17ClN2O3/c1-7-3-9-10(4-8(7)2)17(14(15)16-9)13-5-11(19)12(6-18)20-13/h3-4,11-13,18-19H,5-6H2,1-2H3/t11-,12+,13+/m0/s1
InChIKey
MWYFTUZANQDKLK-YNEHKIRRSA-N
Compound name
(2R,3S,5R)-5-(2-chloro-5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.09277 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10005 167.2
[M+Na]+ 319.08199 179.0
[M-H]- 295.08549 171.7
[M+NH4]+ 314.12659 183.7
[M+K]+ 335.05593 174.2
[M+H-H2O]+ 279.09003 161.5
[M+HCOO]- 341.09097 180.7
[M+CH3COO]- 355.10662 179.4
[M+Na-2H]- 317.06744 166.7
[M]+ 296.09222 171.9
[M]- 296.09332 171.9
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.