CID 50306

Brn 0595792

Structural Information

Molecular Formula
C24H26N4O4S
SMILES
C1COCCN1CCCNC(=O)C2=NN(C3=C2CS(=O)(=O)C4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C24H26N4O4S/c29-24(25-11-6-12-27-13-15-32-16-14-27)22-20-17-33(30,31)21-10-5-4-9-19(21)23(20)28(26-22)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,25,29)
InChIKey
VKYKCZBZAGAJIF-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.16748 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.17476 206.7
[M+Na]+ 489.15670 212.9
[M-H]- 465.16020 213.8
[M+NH4]+ 484.20130 214.7
[M+K]+ 505.13064 207.9
[M+H-H2O]+ 449.16474 196.1
[M+HCOO]- 511.16568 215.3
[M+CH3COO]- 525.18133 213.7
[M+Na-2H]- 487.14215 208.3
[M]+ 466.16693 207.9
[M]- 466.16803 207.9
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.