CID 3044285

Rmi 61211

Structural Information

Molecular Formula

C₂₂H₂₃N₃O₂

SMILES

CN(C)C(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C22H23N3O2/c1-23(2)22(27)25-13-11-24(12-14-25)20-15-16-7-3-4-8-17(16)21(26)19-10-6-5-9-18(19)20/h3-10,15H,11-14H2,1-2H3

InChIKey

MKWBXDDFJMFZGN-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.17902 Da
Monoisotopic Mass: 3.0
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	186.7
[M+Na]+	384.168238	193.0
[M-H]-	360.171744	194.7
[M+NH4]+	379.212843	198.3
[M+K]+	400.142178	192.7
[M+H-H2O]+	344.176280	177.2
[M+HCOO]-	406.177221	203.2
[M+CH3COO]-	420.192871	196.0
[M+Na-2H]-	382.153686	190.3
[M]+	361.17847142	184.0
[M]-	361.17956858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.