CID 408458

6-chloro-n-[3-(2-diethylaminoethylsulfanyl)propyl]-2-methoxy-acridin-9-amine

Structural Information

Molecular Formula
C23H30ClN3OS
SMILES
CCN(CC)CCSCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C23H30ClN3OS/c1-4-27(5-2)12-14-29-13-6-11-25-23-19-9-7-17(24)15-22(19)26-21-10-8-18(28-3)16-20(21)23/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,26)
InChIKey
BYCSDSODGSHNKL-UHFFFAOYSA-N
Compound name
6-chloro-N-[3-[2-(diethylamino)ethylsulfanyl]propyl]-2-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1798 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18708 202.1
[M+Na]+ 454.16902 209.6
[M-H]- 430.17252 206.5
[M+NH4]+ 449.21362 214.7
[M+K]+ 470.14296 202.5
[M+H-H2O]+ 414.17706 193.3
[M+HCOO]- 476.17800 214.5
[M+CH3COO]- 490.19365 237.1
[M+Na-2H]- 452.15447 205.2
[M]+ 431.17925 213.4
[M]- 431.18035 213.4
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.