CID 395393

Nsc699929

Structural Information

Molecular Formula
C17H17NO3S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCO)OC
InChI
InChI=1S/C17H17NO3S/c1-20-11-3-5-15-13(9-11)17(22-8-7-19)14-10-12(21-2)4-6-16(14)18-15/h3-6,9-10,19H,7-8H2,1-2H3
InChIKey
KQQNVJYEAFNAOR-UHFFFAOYSA-N
Compound name
2-(2,7-dimethoxyacridin-9-yl)sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.09293 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10021 169.3
[M+Na]+ 338.08215 179.9
[M-H]- 314.08565 172.7
[M+NH4]+ 333.12675 185.1
[M+K]+ 354.05609 174.5
[M+H-H2O]+ 298.09019 161.8
[M+HCOO]- 360.09113 184.9
[M+CH3COO]- 374.10678 180.9
[M+Na-2H]- 336.06760 175.0
[M]+ 315.09238 177.7
[M]- 315.09348 177.7
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.