CID 59670

Votracon

Structural Information

Molecular Formula

C₁₈H₂₇N₃O

SMILES

CN(C1CCN(C1)C2CCCCC2)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H27N3O/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13,19H2,1H3

InChIKey

BCZLLYRBOISBCG-UHFFFAOYSA-N

Compound name

4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 301.21542 Da
Monoisotopic Mass: 2.7
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]+	302.222696	173.9
[M+Na]+	324.204638	174.9
[M-H]-	300.208144	181.5
[M+NH4]+	319.249243	188.2
[M+K]+	340.178578	172.0
[M+H-H2O]+	284.212680	164.2
[M+HCOO]-	346.213621	191.8
[M+CH3COO]-	360.229271	210.5
[M+Na-2H]-	322.190086	171.3
[M]+	301.21487142	165.5
[M]-	301.21596858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe