CID 362327

9-(ethylthio)-1,4-dimethoxyacridine

Structural Information

Molecular Formula
C17H17NO2S
SMILES
CCSC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)OC
InChI
InChI=1S/C17H17NO2S/c1-4-21-17-11-7-5-6-8-12(11)18-16-14(20-3)10-9-13(19-2)15(16)17/h5-10H,4H2,1-3H3
InChIKey
JMZRMPLYFBAQHM-UHFFFAOYSA-N
Compound name
9-ethylsulfanyl-1,4-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.098 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10528 166.1
[M+Na]+ 322.08722 177.5
[M-H]- 298.09072 171.0
[M+NH4]+ 317.13182 183.5
[M+K]+ 338.06116 172.3
[M+H-H2O]+ 282.09526 158.5
[M+HCOO]- 344.09620 183.1
[M+CH3COO]- 358.11185 178.6
[M+Na-2H]- 320.07267 172.0
[M]+ 299.09745 174.9
[M]- 299.09855 174.9
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.