CID 4049694

1-nitro-2,4-dipiperidinobenzene

Structural Information

Molecular Formula
C16H23N3O2
SMILES
C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3
InChI
InChI=1S/C16H23N3O2/c20-19(21)15-8-7-14(17-9-3-1-4-10-17)13-16(15)18-11-5-2-6-12-18/h7-8,13H,1-6,9-12H2
InChIKey
PQKPUBVDVNZAAX-UHFFFAOYSA-N
Compound name
1-(4-nitro-3-piperidin-1-ylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

289.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.186296 169.2
[M+Na]+ 312.168238 170.0
[M-H]- 288.171744 174.1
[M+NH4]+ 307.212843 179.8
[M+K]+ 328.142178 162.1
[M+H-H2O]+ 272.176280 162.8
[M+HCOO]- 334.177221 183.9
[M+CH3COO]- 348.192871 195.4
[M+Na-2H]- 310.153686 172.5
[M]+ 289.17847142 158.2
[M]- 289.17956858 158.2
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

patents stripe