CID 49877914

N'-[(e)-1-[1,1'-biphenyl]-4-ylethylidene]-3-(5-methyl-2-thienyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C23H20N4OS
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4OS/c1-15-8-13-22(29-15)20-14-21(26-25-20)23(28)27-24-16(2)17-9-11-19(12-10-17)18-6-4-3-5-7-18/h3-14H,1-2H3,(H,25,26)(H,27,28)/b24-16+
InChIKey
QFOCJIUDVNQIRB-LFVJCYFKSA-N
Compound name
5-(5-methylthiophen-2-yl)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13577 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.143046 195.5
[M+Na]+ 423.124988 203.4
[M-H]- 399.128494 207.4
[M+NH4]+ 418.169593 207.2
[M+K]+ 439.098928 196.3
[M+H-H2O]+ 383.133030 186.1
[M+HCOO]- 445.133971 215.9
[M+CH3COO]- 459.149621 205.6
[M+Na-2H]- 421.110436 193.9
[M]+ 400.13522142 198.0
[M]- 400.13631858 198.0
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.