CID 395390

Nsc699926

Structural Information

Molecular Formula
C17H16ClNO3S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CCCl)OC
InChI
InChI=1S/C17H16ClNO3S/c1-21-11-3-5-15-13(9-11)17(23(20)8-7-18)14-10-12(22-2)4-6-16(14)19-15/h3-6,9-10H,7-8H2,1-2H3
InChIKey
TVXICGOWQNPSDL-UHFFFAOYSA-N
Compound name
9-(2-chloroethylsulfinyl)-2,7-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.05396 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06124 173.8
[M+Na]+ 372.04318 185.4
[M-H]- 348.04668 178.6
[M+NH4]+ 367.08778 189.8
[M+K]+ 388.01712 179.6
[M+H-H2O]+ 332.05122 167.1
[M+HCOO]- 394.05216 185.5
[M+CH3COO]- 408.06781 185.6
[M+Na-2H]- 370.02863 178.5
[M]+ 349.05341 184.9
[M]- 349.05451 184.9
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.