CID 6891350

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

Structural Information

Molecular Formula
C15H10ClN5O3S
SMILES
C1=CSC(=C1)C2=CC(=NN2)C(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H10ClN5O3S/c16-11-4-3-10(21(23)24)6-9(11)8-17-20-15(22)13-7-12(18-19-13)14-2-1-5-25-14/h1-8H,(H,18,19)(H,20,22)/b17-8+
InChIKey
TVFAVJOOWBKJBA-CAOOACKPSA-N
Compound name
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0193 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02658 178.8
[M+Na]+ 398.00852 191.1
[M+NH4]+ 393.05312 185.1
[M+K]+ 413.98246 189.0
[M-H]- 374.01202 184.4
[M+Na-2H]- 395.99397 186.8
[M]+ 375.01875 182.4
[M]- 375.01985 182.4
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.