CID 488710

Acridine, 3-chloro-9-(ethylthio)-

Structural Information

Molecular Formula
C15H12ClNS
SMILES
CCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)Cl
InChI
InChI=1S/C15H12ClNS/c1-2-18-15-11-5-3-4-6-13(11)17-14-9-10(16)7-8-12(14)15/h3-9H,2H2,1H3
InChIKey
JVJOARNMHCFBSF-UHFFFAOYSA-N
Compound name
3-chloro-9-ethylsulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0379 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04518 155.0
[M+Na]+ 296.02712 167.6
[M-H]- 272.03062 159.8
[M+NH4]+ 291.07172 174.3
[M+K]+ 312.00106 160.3
[M+H-H2O]+ 256.03516 148.9
[M+HCOO]- 318.03610 167.8
[M+CH3COO]- 332.05175 168.2
[M+Na-2H]- 294.01257 162.1
[M]+ 273.03735 162.1
[M]- 273.03845 162.1
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.