CID 24897

1,2-ethanediamine, n-(2-chloroethyl)-n'-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride, sesquihydrate

Structural Information

Molecular Formula
C18H19Cl2N3O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl
InChI
InChI=1S/C18H19Cl2N3O/c1-24-13-3-5-16-15(11-13)18(22-9-8-21-7-6-19)14-4-2-12(20)10-17(14)23-16/h2-5,10-11,21H,6-9H2,1H3,(H,22,23)
InChIKey
YMOLIXPQCNADND-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0905 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09778 182.4
[M+Na]+ 386.07972 199.0
[M+NH4]+ 381.12432 191.6
[M+K]+ 402.05366 188.0
[M-H]- 362.08322 187.3
[M+Na-2H]- 384.06517 190.0
[M]+ 363.08995 187.0
[M]- 363.09105 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.