CID 6891384

N'-((1,1'-biphenyl)-4-ylmethylene)-3-(2-thienyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C21H16N4OS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/NC(=O)C3=NNC(=C3)C4=CC=CS4
InChI
InChI=1S/C21H16N4OS/c26-21(19-13-18(23-24-19)20-7-4-12-27-20)25-22-14-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-14H,(H,23,24)(H,25,26)/b22-14+
InChIKey
HCINOAHPBJTLGI-HYARGMPZSA-N
Compound name
N-[(E)-(4-phenylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11178 185.6
[M+Na]+ 395.09372 194.1
[M-H]- 371.09722 197.4
[M+NH4]+ 390.13832 198.3
[M+K]+ 411.06766 186.7
[M+H-H2O]+ 355.10176 176.2
[M+HCOO]- 417.10270 207.8
[M+CH3COO]- 431.11835 196.5
[M+Na-2H]- 393.07917 186.7
[M]+ 372.10395 187.6
[M]- 372.10505 187.6
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.