CID 217046

38044-66-5

Structural Information

Molecular Formula
C23H29N3OS
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN4CCN(CC4)C)C
InChI
InChI=1S/C23H29N3OS/c1-23(2)18-8-4-6-10-20(18)26(21-11-7-5-9-19(21)23)22(27)28-17-16-25-14-12-24(3)13-15-25/h4-11H,12-17H2,1-3H3
InChIKey
RZQMVNZAKMZKOC-UHFFFAOYSA-N
Compound name
S-[2-(4-methylpiperazin-1-yl)ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20312 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.210396 196.6
[M+Na]+ 418.192338 202.7
[M-H]- 394.195844 199.2
[M+NH4]+ 413.236943 208.1
[M+K]+ 434.166278 195.9
[M+H-H2O]+ 378.200380 185.8
[M+HCOO]- 440.201321 202.1
[M+CH3COO]- 454.216971 203.5
[M+Na-2H]- 416.177786 197.1
[M]+ 395.20257142 196.0
[M]- 395.20366858 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.