CID 217278

10(9h)-acridinecarbothioic acid, 9,9-dimethyl-, s-(2-(4-morpholinyl)ethyl) ester

Structural Information

Molecular Formula
C22H26N2O2S
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN4CCOCC4)C
InChI
InChI=1S/C22H26N2O2S/c1-22(2)17-7-3-5-9-19(17)24(20-10-6-4-8-18(20)22)21(25)27-16-13-23-11-14-26-15-12-23/h3-10H,11-16H2,1-2H3
InChIKey
AMWSLIXSLYDPNY-UHFFFAOYSA-N
Compound name
S-(2-morpholin-4-ylethyl) 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1715 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17878 190.9
[M+Na]+ 405.16072 204.9
[M+NH4]+ 400.20532 201.0
[M+K]+ 421.13466 192.5
[M-H]- 381.16422 196.8
[M+Na-2H]- 403.14617 197.6
[M]+ 382.17095 195.4
[M]- 382.17205 195.4
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.