CID 3044288

Rmi 61195

Structural Information

Molecular Formula

C₂₄H₂₇N₃O₂

SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-2-3-12-25-24(29)27-15-13-26(14-16-27)22-17-18-8-4-5-9-19(18)23(28)21-11-7-6-10-20(21)22/h4-11,17H,2-3,12-16H2,1H3,(H,25,29)

InChIKey

YWCAAPDBHBNUAW-UHFFFAOYSA-N

Compound name

N-butyl-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: 389.21033 Da
Monoisotopic Mass: 4.0
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]+	390.217606	196.6
[M+Na]+	412.199548	201.8
[M-H]-	388.203054	202.7
[M+NH4]+	407.244153	206.4
[M+K]+	428.173488	199.8
[M+H-H2O]+	372.207590	186.6
[M+HCOO]-	434.208531	211.8
[M+CH3COO]-	448.224181	204.3
[M+Na-2H]-	410.184996	199.6
[M]+	389.20978142	193.2
[M]-	389.21087858	193.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.