CID 499778

N-(2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1h-anthracen-9-ylideneamino)pyridine-4-carboxamide

Structural Information

Molecular Formula

C₂₀H₂₇N₃O

SMILES

C1CCC2C(C1)CC3CCCCC3C2=NNC(=O)C4=CC=NC=C4

InChI

InChI=1S/C20H27N3O/c24-20(14-9-11-21-12-10-14)23-22-19-17-7-3-1-5-15(17)13-16-6-2-4-8-18(16)19/h9-12,15-18H,1-8,13H2,(H,23,24)

InChIKey

INFYCCCIKFDPKL-UHFFFAOYSA-N

Compound name

N-(2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylideneamino)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.21542 Da
Monoisotopic Mass: 4.7
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]+	326.222696	174.8
[M+Na]+	348.204638	175.0
[M-H]-	324.208144	179.9
[M+NH4]+	343.249243	188.2
[M+K]+	364.178578	170.2
[M+H-H2O]+	308.212680	164.2
[M+HCOO]-	370.213621	188.1
[M+CH3COO]-	384.229271	182.1
[M+Na-2H]-	346.190086	177.8
[M]+	325.21487142	164.1
[M]-	325.21596858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.