CID 3049041

64337-45-7

Structural Information

Molecular Formula
C25H20N2O2S
SMILES
CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC4=C(C=C3)SC5=CC=CC=C5N4
InChI
InChI=1S/C25H20N2O2S/c1-3-29-25(28)18-14-21(26-19-10-8-15(2)12-17(18)19)16-9-11-24-22(13-16)27-20-6-4-5-7-23(20)30-24/h4-14,27H,3H2,1-2H3
InChIKey
JOKPZFRHCVPGNO-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-(10H-phenothiazin-2-yl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.12454 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13182 197.0
[M+Na]+ 435.11376 214.7
[M+NH4]+ 430.15836 206.3
[M+K]+ 451.08770 202.4
[M-H]- 411.11726 203.0
[M+Na-2H]- 433.09921 204.9
[M]+ 412.12399 202.1
[M]- 412.12509 202.1
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.