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]+ 396.21040 196.6
[M+Na]+ 418.19234 202.7
[M-H]- 394.19584 199.2
[M+NH4]+ 413.23694 208.1
[M+K]+ 434.16628 195.9
[M+H-H2O]+ 378.20038 185.8
[M+HCOO]- 440.20132 202.1
[M+CH3COO]- 454.21697 203.5
[M+Na-2H]- 416.17779 197.1
[M]+ 395.20257 196.0
[M]- 395.20367 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.