CID 3033593

Brn 0569456

Structural Information

Molecular Formula
C18H24N4OS
SMILES
CC1CCN(CC1)C(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C18H24N4OS/c1-13-9-11-21(12-10-13)18(24)19-16-14(2)20(3)22(17(16)23)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,24)
InChIKey
JQOSKVFDHUGGFQ-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16708 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17436 183.0
[M+Na]+ 367.15630 194.9
[M+NH4]+ 362.20090 189.7
[M+K]+ 383.13024 188.0
[M-H]- 343.15980 187.3
[M+Na-2H]- 365.14175 188.8
[M]+ 344.16653 186.2
[M]- 344.16763 186.2
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.