CID 3040863

Brn 1166092

Structural Information

Molecular Formula
C20H24N2O2S2
SMILES
CCCCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C20H24N2O2S2/c1-3-4-12-25-13-11-21-20(23)22-16-7-5-6-8-18(16)26-19-10-9-15(24-2)14-17(19)22/h5-10,14H,3-4,11-13H2,1-2H3,(H,21,23)
InChIKey
KFTGMCCYQHDELC-UHFFFAOYSA-N
Compound name
N-(2-butylsulfanylethyl)-2-methoxyphenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.12793 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13521 185.0
[M+Na]+ 411.11715 190.9
[M-H]- 387.12065 187.1
[M+NH4]+ 406.16175 197.8
[M+K]+ 427.09109 184.2
[M+H-H2O]+ 371.12519 177.2
[M+HCOO]- 433.12613 192.8
[M+CH3COO]- 447.14178 221.1
[M+Na-2H]- 409.10260 187.5
[M]+ 388.12738 190.4
[M]- 388.12848 190.4
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.