CID 5273988

[(2s,4s)-4-[5,6-dichloro-2-(isopropylamino)benzimidazol-1-yl]tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C15H19Cl2N3O2
SMILES
CC(C)NC1=NC2=CC(=C(C=C2N1[C@H]3C[C@H](OC3)CO)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3O2/c1-8(2)18-15-19-13-4-11(16)12(17)5-14(13)20(15)9-3-10(6-21)22-7-9/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19)/t9-,10-/m0/s1
InChIKey
LRCHAPCSAZHJJK-UWVGGRQHSA-N
Compound name
[(2S,4S)-4-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.08542 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09270 180.6
[M+Na]+ 366.07464 190.5
[M-H]- 342.07814 185.0
[M+NH4]+ 361.11924 195.5
[M+K]+ 382.04858 185.0
[M+H-H2O]+ 326.08268 174.0
[M+HCOO]- 388.08362 189.8
[M+CH3COO]- 402.09927 191.0
[M+Na-2H]- 364.06009 179.0
[M]+ 343.08487 185.3
[M]- 343.08597 185.3
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.