CID 16760630

Cethrin

Structural Information

Molecular Formula

C₂₃H₃₀ClN₃O

SMILES

CCN(CC)CCCC(C)NC1=CC(=CC2=C1C=C3C=C(C=CC3=N2)OC)Cl

InChI

InChI=1S/C23H30ClN3O/c1-5-27(6-2)11-7-8-16(3)25-22-14-18(24)15-23-20(22)13-17-12-19(28-4)9-10-21(17)26-23/h9-10,12-16,25H,5-8,11H2,1-4H3

InChIKey

SBPCESORRTYRJS-UHFFFAOYSA-N

Compound name

4-N-(3-chloro-7-methoxyacridin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 573
References: 73
Patents: 399.20773 Da
Monoisotopic Mass: 6.0
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]+	400.215006	199.7
[M+Na]+	422.196948	207.0
[M-H]-	398.200454	204.3
[M+NH4]+	417.241553	212.9
[M+K]+	438.170888	201.0
[M+H-H2O]+	382.204990	190.5
[M+HCOO]-	444.205931	216.2
[M+CH3COO]-	458.221581	234.7
[M+Na-2H]-	420.182396	203.2
[M]+	399.20718142	208.3
[M]-	399.20827858	208.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe