CID 118753609

Chembl3544498

Structural Information

Molecular Formula
C20H24N2S2
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S
InChI
InChI=1S/C20H24N2S2/c1-21-12-5-4-6-15(21)11-13-22-17-7-2-3-8-19(17)24-20-10-9-16(23)14-18(20)22/h2-3,7-10,14-15,23H,4-6,11-13H2,1H3
InChIKey
DCXXSSIALADGCY-UHFFFAOYSA-N
Compound name
10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.1381 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14538 177.1
[M+Na]+ 379.12732 184.0
[M-H]- 355.13082 180.8
[M+NH4]+ 374.17192 190.3
[M+K]+ 395.10126 176.4
[M+H-H2O]+ 339.13536 168.7
[M+HCOO]- 401.13630 180.8
[M+CH3COO]- 415.15195 185.4
[M+Na-2H]- 377.11277 178.1
[M]+ 356.13755 176.2
[M]- 356.13865 176.2
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.