CID 31075

Amedalin

Structural Information

Molecular Formula

C₁₉H₂₂N₂O

SMILES

CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCCNC

InChI

InChI=1S/C19H22N2O/c1-19(13-8-14-20-2)16-11-6-7-12-17(16)21(18(19)22)15-9-4-3-5-10-15/h3-7,9-12,20H,8,13-14H2,1-2H3

InChIKey

HBGWAZBZXJBYQD-UHFFFAOYSA-N

Compound name

3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 599
Patents: 294.17322 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]+	295.180496	170.4
[M+Na]+	317.162438	178.4
[M-H]-	293.165944	176.8
[M+NH4]+	312.207043	189.2
[M+K]+	333.136378	172.8
[M+H-H2O]+	277.170480	162.2
[M+HCOO]-	339.171421	192.5
[M+CH3COO]-	353.187071	206.4
[M+Na-2H]-	315.147886	174.6
[M]+	294.17267142	171.4
[M]-	294.17376858	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe