CID 3040855

Brn 1022784

Structural Information

Molecular Formula
C16H15ClN2OS2
SMILES
CSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C16H15ClN2OS2/c1-21-9-8-18-16(20)19-12-4-2-3-5-14(12)22-15-7-6-11(17)10-13(15)19/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKey
ZLLKSSBKVMVDAK-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.03143 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03871 170.0
[M+Na]+ 373.02065 178.7
[M-H]- 349.02415 173.2
[M+NH4]+ 368.06525 185.6
[M+K]+ 388.99459 171.2
[M+H-H2O]+ 333.02869 164.4
[M+HCOO]- 395.02963 174.6
[M+CH3COO]- 409.04528 179.9
[M+Na-2H]- 371.00610 173.7
[M]+ 350.03088 174.9
[M]- 350.03198 174.9
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.