CID 3049029

4-quinolinecarboxylic acid, 6-methyl-2-(10h-phenothiazin-2-yl)-, monopotassium salt, hydrate

Structural Information

Molecular Formula
C23H16N2O2S
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(C=C3)SC5=CC=CC=C5N4
InChI
InChI=1S/C23H16N2O2S/c1-13-6-8-17-15(10-13)16(23(26)27)12-19(24-17)14-7-9-22-20(11-14)25-18-4-2-3-5-21(18)28-22/h2-12,25H,1H3,(H,26,27)
InChIKey
DIBUVTPZXMVYGH-UHFFFAOYSA-N
Compound name
6-methyl-2-(10H-phenothiazin-2-yl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.09326 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10054 188.0
[M+Na]+ 407.08248 205.6
[M+NH4]+ 402.12708 197.3
[M+K]+ 423.05642 194.1
[M-H]- 383.08598 193.7
[M+Na-2H]- 405.06793 195.9
[M]+ 384.09271 192.9
[M]- 384.09381 192.9
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.