CID 3049040

64337-44-6

Structural Information

Molecular Formula
C24H17ClN2O2S
SMILES
CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4
InChI
InChI=1S/C24H17ClN2O2S/c1-2-29-24(28)17-13-20(26-18-9-8-15(25)12-16(17)18)14-7-10-23-21(11-14)27-19-5-3-4-6-22(19)30-23/h3-13,27H,2H2,1H3
InChIKey
ZYVGILQOIJLZHZ-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-2-(10H-phenothiazin-2-yl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.06992 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.07720 196.8
[M+Na]+ 455.05914 206.3
[M-H]- 431.06264 201.5
[M+NH4]+ 450.10374 207.3
[M+K]+ 471.03308 197.5
[M+H-H2O]+ 415.06718 187.3
[M+HCOO]- 477.06812 201.4
[M+CH3COO]- 491.08377 204.8
[M+Na-2H]- 453.04459 200.8
[M]+ 432.06937 201.1
[M]- 432.07047 201.1
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.