CID 368244

Methyl phenothiazinepropionate

Structural Information

Molecular Formula
C16H15NO2S
SMILES
COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C16H15NO2S/c1-19-16(18)10-11-17-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3
InChIKey
VCRSYEXMIHNELG-UHFFFAOYSA-N
Compound name
methyl 3-phenothiazin-10-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

285.08234 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08962 161.9
[M+Na]+ 308.07156 169.9
[M-H]- 284.07506 165.5
[M+NH4]+ 303.11616 178.9
[M+K]+ 324.04550 165.3
[M+H-H2O]+ 268.07960 154.4
[M+HCOO]- 330.08054 175.6
[M+CH3COO]- 344.09619 173.1
[M+Na-2H]- 306.05701 166.9
[M]+ 285.08179 165.4
[M]- 285.08289 165.4
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