CID 621186

46815-10-5

Structural Information

Molecular Formula
C14H13NS2
SMILES
CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C14H13NS2/c1-2-16-10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)17-14/h3-9,15H,2H2,1H3
InChIKey
DMHPUUIDINBWBN-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

259.04895 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05623 148.5
[M+Na]+ 282.03817 157.7
[M-H]- 258.04167 150.7
[M+NH4]+ 277.08277 166.6
[M+K]+ 298.01211 150.6
[M+H-H2O]+ 242.04621 142.8
[M+HCOO]- 304.04715 156.8
[M+CH3COO]- 318.06280 159.7
[M+Na-2H]- 280.02362 153.8
[M]+ 259.04840 149.5
[M]- 259.04950 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe