CID 395396

Nsc699932

Structural Information

Molecular Formula
C22H19NO2S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4=CC=CC=C4)OC
InChI
InChI=1S/C22H19NO2S/c1-24-16-8-10-20-18(12-16)22(26-14-15-6-4-3-5-7-15)19-13-17(25-2)9-11-21(19)23-20/h3-13H,14H2,1-2H3
InChIKey
XFBACNNHZDSCFW-UHFFFAOYSA-N
Compound name
9-benzylsulfanyl-2,7-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.11365 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12093 184.4
[M+Na]+ 384.10287 194.8
[M-H]- 360.10637 191.9
[M+NH4]+ 379.14747 198.5
[M+K]+ 400.07681 188.1
[M+H-H2O]+ 344.11091 174.8
[M+HCOO]- 406.11185 200.9
[M+CH3COO]- 420.12750 195.4
[M+Na-2H]- 382.08832 190.1
[M]+ 361.11310 191.9
[M]- 361.11420 191.9
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.