CID 395394

Nsc699930

Structural Information

Molecular Formula
C18H17NO3S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4CO4)OC
InChI
InChI=1S/C18H17NO3S/c1-20-11-3-5-16-14(7-11)18(23-10-13-9-22-13)15-8-12(21-2)4-6-17(15)19-16/h3-8,13H,9-10H2,1-2H3
InChIKey
RZJYXPKGGBAERB-UHFFFAOYSA-N
Compound name
2,7-dimethoxy-9-(oxiran-2-ylmethylsulfanyl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.09293 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10021 173.1
[M+Na]+ 350.08215 185.5
[M-H]- 326.08565 181.8
[M+NH4]+ 345.12675 183.0
[M+K]+ 366.05609 181.2
[M+H-H2O]+ 310.09019 164.6
[M+HCOO]- 372.09113 189.5
[M+CH3COO]- 386.10678 184.8
[M+Na-2H]- 348.06760 179.1
[M]+ 327.09238 184.5
[M]- 327.09348 184.5
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.