CID 5393006

3-(5-me-2-thienyl)-n'-(1-(4-pyridinyl)ethylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C16H15N5OS
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=NC=C3
InChI
InChI=1S/C16H15N5OS/c1-10-3-4-15(23-10)13-9-14(20-19-13)16(22)21-18-11(2)12-5-7-17-8-6-12/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-11+
InChIKey
UCSKHALQODYZFK-WOJGMQOQSA-N
Compound name
5-(5-methylthiophen-2-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.09973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10701 174.2
[M+Na]+ 348.08895 183.0
[M-H]- 324.09245 182.1
[M+NH4]+ 343.13355 187.9
[M+K]+ 364.06289 177.7
[M+H-H2O]+ 308.09699 165.1
[M+HCOO]- 370.09793 194.3
[M+CH3COO]- 384.11358 185.4
[M+Na-2H]- 346.07440 174.3
[M]+ 325.09918 176.8
[M]- 325.10028 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.