CID 119532709

2-(1-phenyl-1h-pyrazol-4-yl)-n-propyl-n-(pyrrolidin-3-yl)-1,3-thiazole-4-carboxamide dihydrochloride

Structural Information

Molecular Formula
C20H23N5OS
SMILES
CCCN(C1CCNC1)C(=O)C2=CSC(=N2)C3=CN(N=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H23N5OS/c1-2-10-24(17-8-9-21-12-17)20(26)18-14-27-19(23-18)15-11-22-25(13-15)16-6-4-3-5-7-16/h3-7,11,13-14,17,21H,2,8-10,12H2,1H3
InChIKey
LHAZQZYWBRXSRZ-UHFFFAOYSA-N
Compound name
2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.16232 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16960 187.8
[M+Na]+ 404.15154 194.7
[M-H]- 380.15504 197.4
[M+NH4]+ 399.19614 199.7
[M+K]+ 420.12548 190.3
[M+H-H2O]+ 364.15958 178.4
[M+HCOO]- 426.16052 203.9
[M+CH3COO]- 440.17617 197.5
[M+Na-2H]- 402.13699 182.6
[M]+ 381.16177 189.8
[M]- 381.16287 189.8
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

patents stripe