CID 5747540

164357-32-8

Structural Information

Molecular Formula
C29H32N4O4S
SMILES
CC1=CC(=NC2=C1C(=O)/C(=C(\C3=CC=CC=C3)/O)/N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC=C5)C
InChI
InChI=1S/C29H32N4O4S/c1-21-20-22(2)30-29-25(21)28(35)26(27(34)23-10-5-3-6-11-23)33(38(29,36)37)15-9-14-31-16-18-32(19-17-31)24-12-7-4-8-13-24/h3-8,10-13,20,34H,9,14-19H2,1-2H3/b27-26-
InChIKey
NVBCXWINUHDTOS-RQZHXJHFSA-N
Compound name
(3Z)-3-[hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]pyrido[3,2-e]thiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2144 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.22168 229.6
[M+Na]+ 555.20362 234.9
[M-H]- 531.20712 234.8
[M+NH4]+ 550.24822 231.2
[M+K]+ 571.17756 226.5
[M+H-H2O]+ 515.21166 216.1
[M+HCOO]- 577.21260 232.3
[M+CH3COO]- 591.22825 233.3
[M+Na-2H]- 553.18907 226.5
[M]+ 532.21385 227.4
[M]- 532.21495 227.4
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.