CID 389007

Nsc684445

Structural Information

Molecular Formula
C14H18ClN3O
SMILES
C1CCN(C(C1)CO)CC2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C14H18ClN3O/c15-10-4-5-12-13(7-10)17-14(16-12)8-18-6-2-1-3-11(18)9-19/h4-5,7,11,19H,1-3,6,8-9H2,(H,16,17)
InChIKey
GVGACXDUCLLTDE-UHFFFAOYSA-N
Compound name
[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.11383 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12111 163.9
[M+Na]+ 302.10305 172.3
[M-H]- 278.10655 164.3
[M+NH4]+ 297.14765 178.2
[M+K]+ 318.07699 164.9
[M+H-H2O]+ 262.11109 155.2
[M+HCOO]- 324.11203 174.3
[M+CH3COO]- 338.12768 173.6
[M+Na-2H]- 300.08850 166.3
[M]+ 279.11328 162.0
[M]- 279.11438 162.0
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.