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]+ 411.21008 199.7
[M+Na]+ 433.19202 205.0
[M-H]- 409.19552 203.4
[M+NH4]+ 428.23662 211.8
[M+K]+ 449.16596 199.0
[M+H-H2O]+ 393.20006 189.3
[M+HCOO]- 455.20100 206.3
[M+CH3COO]- 469.21665 206.7
[M+Na-2H]- 431.17747 200.0
[M]+ 410.20225 200.4
[M]- 410.20335 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.