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]+ 280.121106 163.9
[M+Na]+ 302.103048 172.3
[M-H]- 278.106554 164.3
[M+NH4]+ 297.147653 178.2
[M+K]+ 318.076988 164.9
[M+H-H2O]+ 262.111090 155.2
[M+HCOO]- 324.112031 174.3
[M+CH3COO]- 338.127681 173.6
[M+Na-2H]- 300.088496 166.3
[M]+ 279.11328142 162.0
[M]- 279.11437858 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.