CID 49552

Brn 0709480

Structural Information

Molecular Formula

C₂₄H₂₉N₃

SMILES

CN1CCN(CC1)CCCC2(C3=CC=CC=C3CCC4=CC=CC=C42)C#N

InChI

InChI=1S/C24H29N3/c1-26-15-17-27(18-16-26)14-6-13-24(19-25)22-9-4-2-7-20(22)11-12-21-8-3-5-10-23(21)24/h2-5,7-10H,6,11-18H2,1H3

InChIKey

DBNOOSQRIXPXLQ-UHFFFAOYSA-N

Compound name

2-[3-(4-methylpiperazin-1-yl)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.23615 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]+	360.243426	189.6
[M+Na]+	382.225368	197.1
[M-H]-	358.228874	193.0
[M+NH4]+	377.269973	200.9
[M+K]+	398.199308	188.8
[M+H-H2O]+	342.233410	173.4
[M+HCOO]-	404.234351	198.8
[M+CH3COO]-	418.250001	195.7
[M+Na-2H]-	380.210816	191.8
[M]+	359.23560142	178.8
[M]-	359.23669858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.