CID 2741355

Maybridge1_007969

Structural Information

Molecular Formula

C₁₅H₂₂N₄O₂

SMILES

C1CCN(CC1)C2=NC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C15H22N4O2/c20-19(21)13-7-8-14(17-9-3-1-4-10-17)16-15(13)18-11-5-2-6-12-18/h7-8H,1-6,9-12H2

InChIKey

BTDRVZHFTKDTHS-UHFFFAOYSA-N

Compound name

3-nitro-2,6-di(piperidin-1-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 290.1743 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.181576	169.0
[M+Na]+	313.163518	170.1
[M-H]-	289.167024	172.6
[M+NH4]+	308.208123	178.1
[M+K]+	329.137458	162.2
[M+H-H2O]+	273.171560	161.7
[M+HCOO]-	335.172501	182.6
[M+CH3COO]-	349.188151	195.2
[M+Na-2H]-	311.148966	173.1
[M]+	290.17375142	158.0
[M]-	290.17484858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.