CID 50302

Brn 0595459

Structural Information

Molecular Formula
C24H25F3N4OS
SMILES
CCN(CC)CCNC(=O)C1=NN(C2=C1CSC3=C2C=CC=C3C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C24H25F3N4OS/c1-3-30(4-2)14-13-28-23(32)20-18-15-33-22-17(11-8-12-19(22)24(25,26)27)21(18)31(29-20)16-9-6-5-7-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,28,32)
InChIKey
KDRPFNDKMQLCJJ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-1-phenyl-6-(trifluoromethyl)-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.1701 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17738 211.2
[M+Na]+ 497.15932 217.6
[M-H]- 473.16282 213.7
[M+NH4]+ 492.20392 220.9
[M+K]+ 513.13326 210.8
[M+H-H2O]+ 457.16736 199.3
[M+HCOO]- 519.16830 220.5
[M+CH3COO]- 533.18395 242.6
[M+Na-2H]- 495.14477 210.8
[M]+ 474.16955 212.1
[M]- 474.17065 212.1
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.