CID 219178

N-ethylphenothiazine

Structural Information

Molecular Formula
C14H13NS
SMILES
CCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C14H13NS/c1-2-15-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,2H2,1H3
InChIKey
IQZBMUCMEBSKSS-UHFFFAOYSA-N
Compound name
10-ethylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1497
Patents

227.07687 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08415 145.9
[M+Na]+ 250.06609 155.3
[M-H]- 226.06959 149.9
[M+NH4]+ 245.11069 165.7
[M+K]+ 266.04003 150.0
[M+H-H2O]+ 210.07413 139.0
[M+HCOO]- 272.07507 160.9
[M+CH3COO]- 286.09072 158.5
[M+Na-2H]- 248.05154 152.7
[M]+ 227.07632 147.3
[M]- 227.07742 147.3
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