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 209.6
[M+Na]+ 469.19202 215.6
[M-H]- 445.19552 216.5
[M+NH4]+ 464.23662 221.9
[M+K]+ 485.16596 210.0
[M+H-H2O]+ 429.20006 198.9
[M+HCOO]- 491.20100 221.9
[M+CH3COO]- 505.21665 217.5
[M+Na-2H]- 467.17747 211.4
[M]+ 446.20225 215.4
[M]- 446.20335 215.4
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.