CID 135547225

3-(5-chlorothiophen-2-yl)-n'-[(1e)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H15ClN4O3S
SMILES
C/C(=N\NC(=O)C1=NNC(=C1)C2=CC=C(S2)Cl)/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C17H15ClN4O3S/c1-9(10-3-4-13(23)14(7-10)25-2)19-22-17(24)12-8-11(20-21-12)15-5-6-16(18)26-15/h3-8,23H,1-2H3,(H,20,21)(H,22,24)/b19-9+
InChIKey
CMZCRTBYECFLAZ-DJKKODMXSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.05533 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06261 188.9
[M+Na]+ 413.04455 198.2
[M-H]- 389.04805 197.1
[M+NH4]+ 408.08915 201.7
[M+K]+ 429.01849 192.1
[M+H-H2O]+ 373.05259 181.4
[M+HCOO]- 435.05353 204.1
[M+CH3COO]- 449.06918 216.5
[M+Na-2H]- 411.03000 186.7
[M]+ 390.05478 195.1
[M]- 390.05588 195.1
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.