CID 217020

38025-48-8

Structural Information

Molecular Formula
C23H28N2OS
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN4CCCCC4)C
InChI
InChI=1S/C23H28N2OS/c1-23(2)18-10-4-6-12-20(18)25(21-13-7-5-11-19(21)23)22(26)27-17-16-24-14-8-3-9-15-24/h4-7,10-13H,3,8-9,14-17H2,1-2H3
InChIKey
MUEIFLNWIQFGIU-UHFFFAOYSA-N
Compound name
S-(2-piperidin-1-ylethyl) 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19223 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19951 191.8
[M+Na]+ 403.18145 205.7
[M+NH4]+ 398.22605 202.4
[M+K]+ 419.15539 192.3
[M-H]- 379.18495 196.8
[M+Na-2H]- 401.16690 199.2
[M]+ 380.19168 196.0
[M]- 380.19278 196.0
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.