CID 204606

Benzimidazole, 5-nitro-2-(2-piperidinoethyl)-

Structural Information

Molecular Formula
C14H18N4O2
SMILES
C1CCN(CC1)CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H18N4O2/c19-18(20)11-4-5-12-13(10-11)16-14(15-12)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2,(H,15,16)
InChIKey
KNTFYDCJXLETOG-UHFFFAOYSA-N
Compound name
6-nitro-2-(2-piperidin-1-ylethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 160.2
[M+Na]+ 297.13219 173.1
[M+NH4]+ 292.17679 167.6
[M+K]+ 313.10613 170.7
[M-H]- 273.13569 163.6
[M+Na-2H]- 295.11764 166.1
[M]+ 274.14242 162.7
[M]- 274.14352 162.7
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.