CID 50303

Brn 0594584

Structural Information

Molecular Formula
C24H25FN4O2S
SMILES
C1COCCN1CCCNC(=O)C2=NN(C3=C2CSC4=C3C=CC=C4F)C5=CC=CC=C5
InChI
InChI=1S/C24H25FN4O2S/c25-20-9-4-8-18-22-19(16-32-23(18)20)21(27-29(22)17-6-2-1-3-7-17)24(30)26-10-5-11-28-12-14-31-15-13-28/h1-4,6-9H,5,10-16H2,(H,26,30)
InChIKey
FMIRDCZDTVXZJI-UHFFFAOYSA-N
Compound name
6-fluoro-N-(3-morpholin-4-ylpropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1682 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.17548 203.9
[M+Na]+ 475.15742 209.3
[M-H]- 451.16092 209.3
[M+NH4]+ 470.20202 210.7
[M+K]+ 491.13136 202.9
[M+H-H2O]+ 435.16546 192.4
[M+HCOO]- 497.16640 210.9
[M+CH3COO]- 511.18205 210.2
[M+Na-2H]- 473.14287 203.0
[M]+ 452.16765 202.4
[M]- 452.16875 202.4
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.