CID 44183922

(1s)-1-(1h-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
C[C@@H](C1=NC2=CC=CC=C2N1)OC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKey
MVMZWHAHBIJEDT-VIFPVBQESA-N
Compound name
[(1S)-1-(1H-benzimidazol-2-yl)ethyl] N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

349.03848 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.045756 175.5
[M+Na]+ 372.027698 185.6
[M-H]- 348.031204 179.3
[M+NH4]+ 367.072303 189.3
[M+K]+ 388.001638 178.4
[M+H-H2O]+ 332.035740 167.9
[M+HCOO]- 394.036681 187.0
[M+CH3COO]- 408.052331 186.0
[M+Na-2H]- 370.013146 178.4
[M]+ 349.03793142 180.3
[M]- 349.03902858 180.3
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