CID 217021

38025-49-9

Structural Information

Molecular Formula
C24H30N2O2S
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN4CCC(CC4)OC)C
InChI
InChI=1S/C24H30N2O2S/c1-24(2)19-8-4-6-10-21(19)26(22-11-7-5-9-20(22)24)23(27)29-17-16-25-14-12-18(28-3)13-15-25/h4-11,18H,12-17H2,1-3H3
InChIKey
DFKBBEQANWJRTG-UHFFFAOYSA-N
Compound name
S-[2-(4-methoxypiperidin-1-yl)ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2028 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.210076 199.7
[M+Na]+ 433.192018 205.0
[M-H]- 409.195524 203.4
[M+NH4]+ 428.236623 211.8
[M+K]+ 449.165958 199.0
[M+H-H2O]+ 393.200060 189.3
[M+HCOO]- 455.201001 206.3
[M+CH3COO]- 469.216651 206.7
[M+Na-2H]- 431.177466 200.0
[M]+ 410.20225142 200.4
[M]- 410.20334858 200.4
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.