CID 217023

Mo 1289

Structural Information

Molecular Formula
C26H28N2OS
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)CC4=CC=CC=C4)C
InChI
InChI=1S/C26H28N2OS/c1-26(2)21-13-7-9-15-23(21)28(24-16-10-8-14-22(24)26)25(29)30-18-17-27(3)19-20-11-5-4-6-12-20/h4-16H,17-19H2,1-3H3
InChIKey
CIURVUXRLOHRRB-UHFFFAOYSA-N
Compound name
S-[2-[benzyl(methyl)amino]ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.19223 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.19951 200.1
[M+Na]+ 439.18145 215.2
[M+NH4]+ 434.22605 210.9
[M+K]+ 455.15539 201.1
[M-H]- 415.18495 206.9
[M+Na-2H]- 437.16690 210.0
[M]+ 416.19168 205.1
[M]- 416.19278 205.1
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.