CID 395397

Nsc699933

Structural Information

Molecular Formula
C22H19NO3S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=CC=C4)OC
InChI
InChI=1S/C22H19NO3S/c1-25-16-8-10-20-18(12-16)22(27(24)14-15-6-4-3-5-7-15)19-13-17(26-2)9-11-21(19)23-20/h3-13H,14H2,1-2H3
InChIKey
MSLAKSKHMJRNRM-UHFFFAOYSA-N
Compound name
9-benzylsulfinyl-2,7-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10855 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11583 187.5
[M+Na]+ 400.09777 197.4
[M-H]- 376.10127 195.0
[M+NH4]+ 395.14237 200.6
[M+K]+ 416.07171 191.4
[M+H-H2O]+ 360.10581 177.9
[M+HCOO]- 422.10675 203.3
[M+CH3COO]- 436.12240 198.1
[M+Na-2H]- 398.08322 192.3
[M]+ 377.10800 195.1
[M]- 377.10910 195.1
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.