CID 50305

Brn 0592179

Structural Information

Molecular Formula
C23H26N4O3S
SMILES
CCN(CC)CCNC(=O)C1=NN(C2=C1CS(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4O3S/c1-3-26(4-2)15-14-24-23(28)21-19-16-31(29,30)20-13-9-8-12-18(20)22(19)27(25-21)17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,24,28)
InChIKey
NCGHXVLKCIVXDE-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-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

438.17258 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17986 201.3
[M+Na]+ 461.16180 212.8
[M+NH4]+ 456.20640 209.1
[M+K]+ 477.13574 203.6
[M-H]- 437.16530 205.3
[M+Na-2H]- 459.14725 208.2
[M]+ 438.17203 204.5
[M]- 438.17313 204.5
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.