CID 56654642

1215493-56-3

Structural Information

Molecular Formula

C₂₀H₂₅N₃O₂

SMILES

CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC2=CC=CC=C2N

InChI

InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)

InChIKey

VOPDXHFYDJAYNS-UHFFFAOYSA-N

Compound name

N-[6-(2-aminoanilino)-6-oxohexyl]-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 484
Patents: 339.19467 Da
Monoisotopic Mass: 2.8
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]+	340.201946	183.9
[M+Na]+	362.183888	187.0
[M-H]-	338.187394	189.3
[M+NH4]+	357.228493	195.8
[M+K]+	378.157828	182.6
[M+H-H2O]+	322.191930	174.5
[M+HCOO]-	384.192871	207.4
[M+CH3COO]-	398.208521	219.9
[M+Na-2H]-	360.169336	185.0
[M]+	339.19412142	182.7
[M]-	339.19521858	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe