CID 3033592

73791-34-1

Structural Information

Molecular Formula
C19H26N4OS
SMILES
CC1CCCC(N1NC(=S)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C19H26N4OS/c1-13-9-8-10-14(2)22(13)20-18(25)17-15(3)21(4)23(19(17)24)16-11-6-5-7-12-16/h5-7,11-14H,8-10H2,1-4H3,(H,20,25)
InChIKey
FECDFCIHAIMIQC-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylpiperidin-1-yl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18274 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19002 187.6
[M+Na]+ 381.17196 195.7
[M-H]- 357.17546 194.0
[M+NH4]+ 376.21656 199.1
[M+K]+ 397.14590 189.1
[M+H-H2O]+ 341.18000 178.5
[M+HCOO]- 403.18094 199.9
[M+CH3COO]- 417.19659 218.2
[M+Na-2H]- 379.15741 182.4
[M]+ 358.18219 187.5
[M]- 358.18329 187.5
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.