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

7
Patents

289.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 169.2
[M+Na]+ 312.16824 170.0
[M-H]- 288.17174 174.1
[M+NH4]+ 307.21284 179.8
[M+K]+ 328.14218 162.1
[M+H-H2O]+ 272.17628 162.8
[M+HCOO]- 334.17722 183.9
[M+CH3COO]- 348.19287 195.4
[M+Na-2H]- 310.15369 172.5
[M]+ 289.17847 158.2
[M]- 289.17957 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