CID 217023

Mo 1289

Structural Information

Molecular Formula
C26H28N2OS
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)CC4=CC=CC=C4)C
InChI
InChI=1S/C26H28N2OS/c1-26(2)21-13-7-9-15-23(21)28(24-16-10-8-14-22(24)26)25(29)30-18-17-27(3)19-20-11-5-4-6-12-20/h4-16H,17-19H2,1-3H3
InChIKey
CIURVUXRLOHRRB-UHFFFAOYSA-N
Compound name
S-[2-[benzyl(methyl)amino]ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.19223 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.19951 201.7
[M+Na]+ 439.18145 207.7
[M-H]- 415.18495 208.6
[M+NH4]+ 434.22605 215.2
[M+K]+ 455.15539 201.5
[M+H-H2O]+ 399.18949 191.2
[M+HCOO]- 461.19043 214.4
[M+CH3COO]- 475.20608 210.0
[M+Na-2H]- 437.16690 204.4
[M]+ 416.19168 205.4
[M]- 416.19278 205.4
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.