CID 5273989

(2r,3s,4r)-4-[5,6-dichloro-2-(isopropylamino)benzimidazol-1-yl]-2-methyl-tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C15H19Cl2N3O2
SMILES
C[C@@H]1[C@H]([C@@H](CO1)N2C3=CC(=C(C=C3N=C2NC(C)C)Cl)Cl)O
InChI
InChI=1S/C15H19Cl2N3O2/c1-7(2)18-15-19-11-4-9(16)10(17)5-12(11)20(15)13-6-22-8(3)14(13)21/h4-5,7-8,13-14,21H,6H2,1-3H3,(H,18,19)/t8-,13-,14-/m1/s1
InChIKey
QEFXEDPQASNQAH-GFWSLJDESA-N
Compound name
(2R,3S,4R)-4-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-2-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.08542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09270 181.1
[M+Na]+ 366.07464 192.0
[M-H]- 342.07814 185.9
[M+NH4]+ 361.11924 196.4
[M+K]+ 382.04858 186.5
[M+H-H2O]+ 326.08268 175.0
[M+HCOO]- 388.08362 190.3
[M+CH3COO]- 402.09927 191.9
[M+Na-2H]- 364.06009 178.9
[M]+ 343.08487 186.2
[M]- 343.08597 186.2
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.