CID 38139

Icr 338

Structural Information

Molecular Formula
C17H21ClN2S
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCSCCCl
InChI
InChI=1S/C17H21ClN2S/c18-9-11-21-12-10-19-17-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)17/h1,3,5,7H,2,4,6,8-12H2,(H,19,20)
InChIKey
AMQKONAYMIMTJI-UHFFFAOYSA-N
Compound name
N-[2-(2-chloroethylsulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1114 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11868 169.0
[M+Na]+ 343.10062 175.7
[M-H]- 319.10412 171.5
[M+NH4]+ 338.14522 185.3
[M+K]+ 359.07456 168.4
[M+H-H2O]+ 303.10866 161.9
[M+HCOO]- 365.10960 177.8
[M+CH3COO]- 379.12525 178.6
[M+Na-2H]- 341.08607 173.7
[M]+ 320.11085 171.4
[M]- 320.11195 171.4
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.