CID 3049039

4-quinolinecarboxylic acid, 2-(10h-phenothiazin-2-yl)-, ethyl ester

Structural Information

Molecular Formula
C24H18N2O2S
SMILES
CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)SC5=CC=CC=C5N4
InChI
InChI=1S/C24H18N2O2S/c1-2-28-24(27)17-14-20(25-18-8-4-3-7-16(17)18)15-11-12-23-21(13-15)26-19-9-5-6-10-22(19)29-23/h3-14,26H,2H2,1H3
InChIKey
LDCRZNPUNRMMTG-UHFFFAOYSA-N
Compound name
ethyl 2-(10H-phenothiazin-2-yl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1089 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11618 191.8
[M+Na]+ 421.09812 209.4
[M+NH4]+ 416.14272 201.3
[M+K]+ 437.07206 197.3
[M-H]- 397.10162 197.9
[M+Na-2H]- 419.08357 200.2
[M]+ 398.10835 196.9
[M]- 398.10945 196.9
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.