CID 199538

Nsc 141267

Structural Information

Molecular Formula
C20H23ClN2OS2
SMILES
CCN(CC)CCSCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN2OS2/c1-3-22(4-2)11-12-25-14-20(24)23-16-7-5-6-8-18(16)26-19-10-9-15(21)13-17(19)23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKey
KTRDLXFZRLYIED-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-2-[2-(diethylamino)ethylsulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.09402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10130 187.5
[M+Na]+ 429.08324 194.2
[M-H]- 405.08674 191.2
[M+NH4]+ 424.12784 201.2
[M+K]+ 445.05718 187.2
[M+H-H2O]+ 389.09128 180.7
[M+HCOO]- 451.09222 191.0
[M+CH3COO]- 465.10787 196.0
[M+Na-2H]- 427.06869 188.7
[M]+ 406.09347 194.9
[M]- 406.09457 194.9
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.