CID 50298

69099-36-1

Structural Information

Molecular Formula
C21H22N4OS
SMILES
CN(C)CCNC(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4OS/c1-24(2)13-12-22-21(26)19-17-14-27-18-11-7-6-10-16(18)20(17)25(23-19)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,22,26)
InChIKey
VCUBVDQSDPYBSU-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.15143 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15871 187.1
[M+Na]+ 401.14065 199.6
[M+NH4]+ 396.18525 195.7
[M+K]+ 417.11459 191.5
[M-H]- 377.14415 192.7
[M+Na-2H]- 399.12610 194.1
[M]+ 378.15088 190.9
[M]- 378.15198 190.9
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.