CID 395386

9-(ethylsulfonyl)-2,7-dimethoxyacridine

Structural Information

Molecular Formula
C17H17NO4S
SMILES
CCS(=O)(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC
InChI
InChI=1S/C17H17NO4S/c1-4-23(19,20)17-13-9-11(21-2)5-7-15(13)18-16-8-6-12(22-3)10-14(16)17/h5-10H,4H2,1-3H3
InChIKey
BPXOLXOWKUYYPP-UHFFFAOYSA-N
Compound name
9-ethylsulfonyl-2,7-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09511 174.3
[M+Na]+ 354.07705 185.9
[M-H]- 330.08055 179.4
[M+NH4]+ 349.12165 190.0
[M+K]+ 370.05099 181.4
[M+H-H2O]+ 314.08509 166.9
[M+HCOO]- 376.08603 190.3
[M+CH3COO]- 390.10168 208.5
[M+Na-2H]- 352.06250 181.4
[M]+ 331.08728 184.0
[M]- 331.08838 184.0
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.