CID 364655

Nsc631198

Structural Information

Molecular Formula

C₂₂H₂₈ClN₃O

SMILES

CN(CCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl

InChI

InChI=1S/C22H28ClN3O/c1-26(15-12-23)14-7-3-6-13-24-22-18-8-4-5-9-20(18)25-21-11-10-17(27-2)16-19(21)22/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,24,25)

InChIKey

NLXSYGFEXTYTFA-UHFFFAOYSA-N

Compound name

N'-(2-chloroethyl)-N-(2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 385.19208 Da
Monoisotopic Mass: 5.2
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]+	386.199356	194.0
[M+Na]+	408.181298	201.2
[M-H]-	384.184804	198.3
[M+NH4]+	403.225903	207.6
[M+K]+	424.155238	194.7
[M+H-H2O]+	368.189340	184.5
[M+HCOO]-	430.190281	211.8
[M+CH3COO]-	444.205931	229.7
[M+Na-2H]-	406.166746	200.0
[M]+	385.19153142	202.4
[M]-	385.19262858	202.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.