CID 3053277

69766-44-5

Structural Information

Molecular Formula
C15H20N4O2
SMILES
C1CCN(CC1)CCCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H20N4O2/c20-19(21)12-6-7-13-14(11-12)17-15(16-13)5-4-10-18-8-2-1-3-9-18/h6-7,11H,1-5,8-10H2,(H,16,17)
InChIKey
AODRWPRKBKHBHG-UHFFFAOYSA-N
Compound name
6-nitro-2-(3-piperidin-1-ylpropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 165.7
[M+Na]+ 311.14785 170.4
[M-H]- 287.15135 167.4
[M+NH4]+ 306.19245 178.0
[M+K]+ 327.12179 161.2
[M+H-H2O]+ 271.15589 160.3
[M+HCOO]- 333.15683 182.9
[M+CH3COO]- 347.17248 192.7
[M+Na-2H]- 309.13330 171.6
[M]+ 288.15808 160.7
[M]- 288.15918 160.7
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.