CID 3057628

74101-25-0

Structural Information

Molecular Formula
C25H18N4OS
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C25H18N4OS/c30-24(20-14-8-3-9-15-20)27-23-16-21(18-10-4-1-5-11-18)28-29(23)25-26-22(17-31-25)19-12-6-2-7-13-19/h1-17H,(H,27,30)
InChIKey
PKVYTRCQXPBNNN-UHFFFAOYSA-N
Compound name
N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.12012 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12740 198.5
[M+Na]+ 445.10934 207.8
[M-H]- 421.11284 212.1
[M+NH4]+ 440.15394 207.7
[M+K]+ 461.08328 199.6
[M+H-H2O]+ 405.11738 187.9
[M+HCOO]- 467.11832 217.9
[M+CH3COO]- 481.13397 208.5
[M+Na-2H]- 443.09479 198.0
[M]+ 422.11957 201.2
[M]- 422.12067 201.2
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.