CID 6869555

3-(5-bromothiophen-2-yl)-n'-[(e)-(4-ethylphenyl)methylidene]-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H15BrN4OS
SMILES
CCC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br
InChI
InChI=1S/C17H15BrN4OS/c1-2-11-3-5-12(6-4-11)10-19-22-17(23)14-9-13(20-21-14)15-7-8-16(18)24-15/h3-10H,2H2,1H3,(H,20,21)(H,22,23)/b19-10+
InChIKey
YTZYSQLQQVDLNQ-VXLYETTFSA-N
Compound name
5-(5-bromothiophen-2-yl)-N-[(E)-(4-ethylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.01498 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.02226 181.4
[M+Na]+ 425.00420 183.9
[M+NH4]+ 420.04880 184.8
[M+K]+ 440.97814 184.3
[M-H]- 401.00770 184.4
[M+Na-2H]- 422.98965 185.9
[M]+ 402.01443 181.6
[M]- 402.01553 181.6
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.