CID 210876

Benzanilide, n-(1-methyl-3-pyrrolidinyl)-

Structural Information

Molecular Formula

C₁₈H₂₀N₂O

SMILES

CN1CCC(C1)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O/c1-19-13-12-17(14-19)20(16-10-6-3-7-11-16)18(21)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3

InChIKey

HLMAGCWXIHSDDC-UHFFFAOYSA-N

Compound name

N-(1-methylpyrrolidin-3-yl)-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.15756 Da
Monoisotopic Mass: 3.2
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]+	281.164836	166.6
[M+Na]+	303.146778	170.7
[M-H]-	279.150284	175.6
[M+NH4]+	298.191383	182.3
[M+K]+	319.120718	167.4
[M+H-H2O]+	263.154820	156.9
[M+HCOO]-	325.155761	188.5
[M+CH3COO]-	339.171411	177.6
[M+Na-2H]-	301.132226	168.0
[M]+	280.15701142	163.8
[M]-	280.15810858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe