CID 388082

Nsc682545

Structural Information

Molecular Formula
C16H20Cl2N2O2
SMILES
CC1(C(CCC(O1)(C)C2=NC3=CC(=C(C=C3N2)Cl)Cl)CO)C
InChI
InChI=1S/C16H20Cl2N2O2/c1-15(2)9(8-21)4-5-16(3,22-15)14-19-12-6-10(17)11(18)7-13(12)20-14/h6-7,9,21H,4-5,8H2,1-3H3,(H,19,20)
InChIKey
MJYYHAFJMFJSDR-UHFFFAOYSA-N
Compound name
[6-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyloxan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.09018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09746 173.5
[M+Na]+ 365.07940 185.2
[M-H]- 341.08290 176.6
[M+NH4]+ 360.12400 190.5
[M+K]+ 381.05334 178.6
[M+H-H2O]+ 325.08744 167.6
[M+HCOO]- 387.08838 179.1
[M+CH3COO]- 401.10403 184.1
[M+Na-2H]- 363.06485 176.2
[M]+ 342.08963 176.6
[M]- 342.09073 176.6
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.