CID 488711

2-(3-chloroacridin-9-yl)sulfanyl-n,n-diethyl-ethanamine

Structural Information

Molecular Formula
C19H21ClN2S
SMILES
CCN(CC)CCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)Cl
InChI
InChI=1S/C19H21ClN2S/c1-3-22(4-2)11-12-23-19-15-7-5-6-8-17(15)21-18-13-14(20)9-10-16(18)19/h5-10,13H,3-4,11-12H2,1-2H3
InChIKey
FGJWFAGZNRIPSA-UHFFFAOYSA-N
Compound name
2-(3-chloroacridin-9-yl)sulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.1114 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11868 177.5
[M+Na]+ 367.10062 187.3
[M-H]- 343.10412 182.6
[M+NH4]+ 362.14522 194.0
[M+K]+ 383.07456 180.3
[M+H-H2O]+ 327.10866 169.8
[M+HCOO]- 389.10960 190.2
[M+CH3COO]- 403.12525 188.6
[M+Na-2H]- 365.08607 182.4
[M]+ 344.11085 186.4
[M]- 344.11195 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.