CID 217043

38044-63-2

Structural Information

Molecular Formula
C27H30N2O2S
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)CC4=CC=C(C=C4)OC)C
InChI
InChI=1S/C27H30N2O2S/c1-27(2)22-9-5-7-11-24(22)29(25-12-8-6-10-23(25)27)26(30)32-18-17-28(3)19-20-13-15-21(31-4)16-14-20/h5-16H,17-19H2,1-4H3
InChIKey
ZEBKUFOXMUTVNE-UHFFFAOYSA-N
Compound name
S-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.2028 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21008 207.9
[M+Na]+ 469.19202 222.6
[M+NH4]+ 464.23662 217.9
[M+K]+ 485.16596 209.0
[M-H]- 445.19552 214.3
[M+Na-2H]- 467.17747 216.9
[M]+ 446.20225 212.7
[M]- 446.20335 212.7
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.