CID 3057092

Brn 0576289

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CC1=CN=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C18H19N5OS/c1-12-9-10-15(19-11-12)20-18(25)21-16-13(2)22(3)23(17(16)24)14-7-5-4-6-8-14/h4-11H,1-3H3,(H2,19,20,21,25)
InChIKey
GRDLOPJJQDQIEQ-UHFFFAOYSA-N
Compound name
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(5-methylpyridin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13832 183.7
[M+Na]+ 376.12026 197.1
[M+NH4]+ 371.16486 190.1
[M+K]+ 392.09420 190.0
[M-H]- 352.12376 188.9
[M+Na-2H]- 374.10571 191.8
[M]+ 353.13049 187.4
[M]- 353.13159 187.4
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.