CID 3067602

81762-01-8

Structural Information

Molecular Formula
C24H26FN5O4S
SMILES
CN1C2=C(C3=CC=CC=C3S1(=O)=O)N(N=C2C(=O)NCCCN4CCOCC4)C5=CC(=CC=C5)F
InChI
InChI=1S/C24H26FN5O4S/c1-28-23-21(24(31)26-10-5-11-29-12-14-34-15-13-29)27-30(18-7-4-6-17(25)16-18)22(23)19-8-2-3-9-20(19)35(28,32)33/h2-4,6-9,16H,5,10-15H2,1H3,(H,26,31)
InChIKey
ZUVHVQBNKAUUEW-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-4-methyl-N-(3-morpholin-4-ylpropyl)-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.16895 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.17623 215.2
[M+Na]+ 522.15817 226.8
[M+NH4]+ 517.20277 220.9
[M+K]+ 538.13211 218.7
[M-H]- 498.16167 218.6
[M+Na-2H]- 520.14362 219.8
[M]+ 499.16840 218.2
[M]- 499.16950 218.2
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.