CID 3067600

81761-97-9

Structural Information

Molecular Formula
C24H26ClN5O4S
SMILES
CN1C2=C(C3=CC=CC=C3S1(=O)=O)N(N=C2C(=O)NCCCN4CCOCC4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H26ClN5O4S/c1-28-23-21(24(31)26-11-4-12-29-13-15-34-16-14-29)27-30(18-9-7-17(25)8-10-18)22(23)19-5-2-3-6-20(19)35(28,32)33/h2-3,5-10H,4,11-16H2,1H3,(H,26,31)
InChIKey
RBJMRYBXOOLWOD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

515.1394 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.14668 216.9
[M+Na]+ 538.12862 230.6
[M+NH4]+ 533.17322 223.7
[M+K]+ 554.10256 221.4
[M-H]- 514.13212 222.1
[M+Na-2H]- 536.11407 222.5
[M]+ 515.13885 221.1
[M]- 515.13995 221.1
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.