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]+ 289.165906 165.7
[M+Na]+ 311.147848 170.4
[M-H]- 287.151354 167.4
[M+NH4]+ 306.192453 178.0
[M+K]+ 327.121788 161.2
[M+H-H2O]+ 271.155890 160.3
[M+HCOO]- 333.156831 182.9
[M+CH3COO]- 347.172481 192.7
[M+Na-2H]- 309.133296 171.6
[M]+ 288.15808142 160.7
[M]- 288.15917858 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.