CID 395385

Nsc699921

Structural Information

Molecular Formula
C17H17NO3S
SMILES
CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC
InChI
InChI=1S/C17H17NO3S/c1-4-22(19)17-13-9-11(20-2)5-7-15(13)18-16-8-6-12(21-3)10-14(16)17/h5-10H,4H2,1-3H3
InChIKey
FNWQSNYSPZQNSF-UHFFFAOYSA-N
Compound name
9-ethylsulfinyl-2,7-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.09293 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10021 169.2
[M+Na]+ 338.08215 180.1
[M-H]- 314.08565 174.0
[M+NH4]+ 333.12675 185.6
[M+K]+ 354.05609 175.5
[M+H-H2O]+ 298.09019 161.5
[M+HCOO]- 360.09113 185.3
[M+CH3COO]- 374.10678 207.4
[M+Na-2H]- 336.06760 174.1
[M]+ 315.09238 178.1
[M]- 315.09348 178.1
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.