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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.