CID 395389

Nsc699925

Structural Information

Molecular Formula
C17H16ClNO2S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCl)OC
InChI
InChI=1S/C17H16ClNO2S/c1-20-11-3-5-15-13(9-11)17(22-8-7-18)14-10-12(21-2)4-6-16(14)19-15/h3-6,9-10H,7-8H2,1-2H3
InChIKey
WWWWJQHYTOSMNM-UHFFFAOYSA-N
Compound name
9-(2-chloroethylsulfanyl)-2,7-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.05902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06630 171.3
[M+Na]+ 356.04824 183.3
[M-H]- 332.05174 176.1
[M+NH4]+ 351.09284 188.2
[M+K]+ 372.02218 176.9
[M+H-H2O]+ 316.05628 164.5
[M+HCOO]- 378.05722 183.8
[M+CH3COO]- 392.07287 183.4
[M+Na-2H]- 354.03369 176.9
[M]+ 333.05847 182.2
[M]- 333.05957 182.2
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.