CID 98833

2-ethyl-10h-phenothiazine

Structural Information

Molecular Formula
C14H13NS
SMILES
CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C14H13NS/c1-2-10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)16-14/h3-9,15H,2H2,1H3
InChIKey
GUVLXHBBADOSJP-UHFFFAOYSA-N
Compound name
2-ethyl-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

227.07687 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.084146 145.6
[M+Na]+ 250.066088 154.7
[M-H]- 226.069594 148.3
[M+NH4]+ 245.110693 164.8
[M+K]+ 266.040028 148.5
[M+H-H2O]+ 210.074130 139.3
[M+HCOO]- 272.075071 159.2
[M+CH3COO]- 286.090721 157.6
[M+Na-2H]- 248.051536 152.3
[M]+ 227.07632142 145.4
[M]- 227.07741858 145.4
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