CID 1112261

26084-35-5

Structural Information

Molecular Formula
C23H24N6O2S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C23H24N6O2S/c1-15-19(21(30)28(26(15)3)17-11-7-5-8-12-17)24-23(32)25-20-16(2)27(4)29(22(20)31)18-13-9-6-10-14-18/h5-14H,1-4H3,(H2,24,25,32)
InChIKey
XNUJOLWSNBYUIF-UHFFFAOYSA-N
Compound name
1,3-bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16815 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17543 209.4
[M+Na]+ 471.15737 223.8
[M+NH4]+ 466.20197 214.1
[M+K]+ 487.13131 218.8
[M-H]- 447.16087 215.4
[M+Na-2H]- 469.14282 217.5
[M]+ 448.16760 213.5
[M]- 448.16870 213.5
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.