CID 199536

Nsc 141255

Structural Information

Molecular Formula
C18H19ClN2OS2
SMILES
CN(C)CCSCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2OS2/c1-20(2)9-10-23-12-18(22)21-14-5-3-4-6-16(14)24-17-8-7-13(19)11-15(17)21/h3-8,11H,9-10,12H2,1-2H3
InChIKey
VBFAXXWSYVHNDV-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-2-[2-(dimethylamino)ethylsulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.06274 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07002 179.1
[M+Na]+ 401.05196 186.7
[M-H]- 377.05546 183.2
[M+NH4]+ 396.09656 194.0
[M+K]+ 417.02590 180.2
[M+H-H2O]+ 361.06000 172.7
[M+HCOO]- 423.06094 183.3
[M+CH3COO]- 437.07659 188.5
[M+Na-2H]- 399.03741 181.2
[M]+ 378.06219 185.9
[M]- 378.06329 185.9
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.