CID 148278

1,2,3,4-tetrahydro-9-((3-((2-chloroethyl)amino)propyl)amino)acridine dihydrochloride hydrate

Structural Information

Molecular Formula
C18H24ClN3
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCNCCCl
InChI
InChI=1S/C18H24ClN3/c19-10-13-20-11-5-12-21-18-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)18/h1,3,6,8,20H,2,4-5,7,9-13H2,(H,21,22)
InChIKey
LKAPWKFAIQPSHW-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16586 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17314 172.9
[M+Na]+ 340.15508 178.1
[M-H]- 316.15858 175.0
[M+NH4]+ 335.19968 188.2
[M+K]+ 356.12902 170.9
[M+H-H2O]+ 300.16312 164.6
[M+HCOO]- 362.16406 187.3
[M+CH3COO]- 376.17971 182.0
[M+Na-2H]- 338.14053 179.8
[M]+ 317.16531 172.7
[M]- 317.16641 172.7
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.