CID 3074851

164357-31-7

Structural Information

Molecular Formula
C24H30N4O4S
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)C)O)C
InChI
InChI=1S/C24H30N4O4S/c1-17-16-18(2)25-24-21(17)23(30)22(19(3)29)28(33(24,31)32)11-7-10-26-12-14-27(15-13-26)20-8-5-4-6-9-20/h4-6,8-9,16,30H,7,10-15H2,1-3H3
InChIKey
GJEOBPOSHHCJNC-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-5,7-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]pyrido[3,2-e]thiazin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1988 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20608 212.4
[M+Na]+ 493.18802 225.9
[M+NH4]+ 488.23262 218.3
[M+K]+ 509.16196 215.5
[M-H]- 469.19152 215.2
[M+Na-2H]- 491.17347 218.4
[M]+ 470.19825 215.6
[M]- 470.19935 215.6
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.