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 183.4
[M+Na]+ 368.18639 187.6
[M-H]- 344.18989 186.5
[M+NH4]+ 363.23099 198.1
[M+K]+ 384.16033 181.4
[M+H-H2O]+ 328.19443 174.3
[M+HCOO]- 390.19537 197.5
[M+CH3COO]- 404.21102 221.7
[M+Na-2H]- 366.17184 188.2
[M]+ 345.19662 184.9
[M]- 345.19772 184.9
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.