CID 148280

1,3-propanediamine, n-(2-chloroethyl)-n-ethyl-n'-(1,2,3,4-tetrahydro-9-acridinyl)-, dihydrochloride, hemihydrate

Structural Information

Molecular Formula
C20H28ClN3
SMILES
CCN(CCCNC1=C2CCCCC2=NC3=CC=CC=C31)CCCl
InChI
InChI=1S/C20H28ClN3/c1-2-24(15-12-21)14-7-13-22-20-16-8-3-5-10-18(16)23-19-11-6-4-9-17(19)20/h3,5,8,10H,2,4,6-7,9,11-15H2,1H3,(H,22,23)
InChIKey
LLAZRXZPXNNRMC-UHFFFAOYSA-N
Compound name
N'-(2-chloroethyl)-N'-ethyl-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

345.19717 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20445 184.1
[M+Na]+ 368.18639 197.0
[M+NH4]+ 363.23099 193.6
[M+K]+ 384.16033 186.5
[M-H]- 344.18989 189.2
[M+Na-2H]- 366.17184 189.9
[M]+ 345.19662 187.7
[M]- 345.19772 187.7
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.