CID 135547222

3-(5-chlorothiophen-2-yl)-n'-[(e)-(3-ethoxy-4-hydroxyphenyl)methylidene]-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H15ClN4O3S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl)O
InChI
InChI=1S/C17H15ClN4O3S/c1-2-25-14-7-10(3-4-13(14)23)9-19-22-17(24)12-8-11(20-21-12)15-5-6-16(18)26-15/h3-9,23H,2H2,1H3,(H,20,21)(H,22,24)/b19-9+
InChIKey
RIRRDSRKKLCORJ-DJKKODMXSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.05533 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06261 189.3
[M+Na]+ 413.04455 200.8
[M+NH4]+ 408.08915 195.1
[M+K]+ 429.01849 196.1
[M-H]- 389.04805 193.1
[M+Na-2H]- 411.03000 195.9
[M]+ 390.05478 192.4
[M]- 390.05588 192.4
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.