CID 6865088

N'-(3-methylbenzylidene)-3-(2-thienyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C16H14N4OS
SMILES
CC1=CC(=CC=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=CS3
InChI
InChI=1S/C16H14N4OS/c1-11-4-2-5-12(8-11)10-17-20-16(21)14-9-13(18-19-14)15-6-3-7-22-15/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+
InChIKey
JDWISLQLRUDLEZ-LICLKQGHSA-N
Compound name
N-[(E)-(3-methylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08884 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09612 170.6
[M+Na]+ 333.07806 182.4
[M+NH4]+ 328.12266 177.9
[M+K]+ 349.05200 177.1
[M-H]- 309.08156 175.8
[M+Na-2H]- 331.06351 179.5
[M]+ 310.08829 174.0
[M]- 310.08939 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.