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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.178776	190.7
[M+Na]+	405.160718	196.5
[M-H]-	381.164224	195.4
[M+NH4]+	400.205323	202.6
[M+K]+	421.134658	192.0
[M+H-H2O]+	365.168760	180.6
[M+HCOO]-	427.169701	197.4
[M+CH3COO]-	441.185351	198.6
[M+Na-2H]-	403.146166	193.1
[M]+	382.17095142	190.9
[M]-	382.17204858	190.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.