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 192.0
[M+Na]+ 403.18145 197.1
[M-H]- 379.18495 195.6
[M+NH4]+ 398.22605 205.2
[M+K]+ 419.15539 190.6
[M+H-H2O]+ 363.18949 181.7
[M+HCOO]- 425.19043 198.8
[M+CH3COO]- 439.20608 199.3
[M+Na-2H]- 401.16690 193.2
[M]+ 380.19168 190.5
[M]- 380.19278 190.5
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.