CID 3067596

81761-82-2

Structural Information

Molecular Formula
C24H27N5O4S
SMILES
CN1C2=C(C3=CC=CC=C3S1(=O)=O)N(N=C2C(=O)NCCCN4CCOCC4)C5=CC=CC=C5
InChI
InChI=1S/C24H27N5O4S/c1-27-23-21(24(30)25-12-7-13-28-14-16-33-17-15-28)26-29(18-8-3-2-4-9-18)22(23)19-10-5-6-11-20(19)34(27,31)32/h2-6,8-11H,7,12-17H2,1H3,(H,25,30)
InChIKey
KOBPHRCGPWYCAB-UHFFFAOYSA-N
Compound name
4-methyl-N-(3-morpholin-4-ylpropyl)-5,5-dioxo-1-phenylpyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.17838 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.18566 210.7
[M+Na]+ 504.16760 223.2
[M+NH4]+ 499.21220 217.3
[M+K]+ 520.14154 214.8
[M-H]- 480.17110 215.7
[M+Na-2H]- 502.15305 216.5
[M]+ 481.17783 214.3
[M]- 481.17893 214.3
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.