CID 217460

Icr 324

Structural Information

Molecular Formula
C18H23ClN2S
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCSCCCl
InChI
InChI=1S/C18H23ClN2S/c19-10-13-22-12-5-11-20-18-14-6-1-3-8-16(14)21-17-9-4-2-7-15(17)18/h1,3,6,8H,2,4-5,7,9-13H2,(H,20,21)
InChIKey
UHCCIPFWMUHKNJ-UHFFFAOYSA-N
Compound name
N-[3-(2-chloroethylsulfanyl)propyl]-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12704 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13432 173.3
[M+Na]+ 357.11626 179.5
[M-H]- 333.11976 175.6
[M+NH4]+ 352.16086 189.1
[M+K]+ 373.09020 172.0
[M+H-H2O]+ 317.12430 166.0
[M+HCOO]- 379.12524 181.8
[M+CH3COO]- 393.14089 182.5
[M+Na-2H]- 355.10171 177.5
[M]+ 334.12649 176.0
[M]- 334.12759 176.0
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.