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 181.0
[M+Na]+ 386.07972 191.3
[M-H]- 362.08322 184.3
[M+NH4]+ 381.12432 195.8
[M+K]+ 402.05366 183.4
[M+H-H2O]+ 346.08776 173.6
[M+HCOO]- 408.08870 194.7
[M+CH3COO]- 422.10435 191.4
[M+Na-2H]- 384.06517 188.4
[M]+ 363.08995 188.7
[M]- 363.09105 188.7
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.