CID 3044290

Rmi 61143

Structural Information

Molecular Formula

C₂₂H₂₃N₃O₂

SMILES

CNC(=O)CN1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C22H23N3O2/c1-23-21(26)15-24-10-12-25(13-11-24)20-14-16-6-2-3-7-17(16)22(27)19-9-5-4-8-18(19)20/h2-9,14H,10-13,15H2,1H3,(H,23,26)

InChIKey

YYSXSLBIBQUKKY-UHFFFAOYSA-N

Compound name

N-methyl-2-[4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazin-1-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.17902 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]+	362.186296	187.7
[M+Na]+	384.168238	193.8
[M-H]-	360.171744	194.2
[M+NH4]+	379.212843	198.5
[M+K]+	400.142178	192.2
[M+H-H2O]+	344.176280	178.2
[M+HCOO]-	406.177221	203.7
[M+CH3COO]-	420.192871	196.3
[M+Na-2H]-	382.153686	191.8
[M]+	361.17847142	183.9
[M]-	361.17956858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.