CID 6865088

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

Structural Information

Molecular Formula
C16H14N4OS
SMILES
CC1=CC(=CC=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=CS3
InChI
InChI=1S/C16H14N4OS/c1-11-4-2-5-12(8-11)10-17-20-16(21)14-9-13(18-19-14)15-6-3-7-22-15/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+
InChIKey
JDWISLQLRUDLEZ-LICLKQGHSA-N
Compound name
N-[(E)-(3-methylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08884 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09612 170.4
[M+Na]+ 333.07806 179.6
[M-H]- 309.08156 179.3
[M+NH4]+ 328.12266 186.1
[M+K]+ 349.05200 173.8
[M+H-H2O]+ 293.08610 161.8
[M+HCOO]- 355.08704 192.8
[M+CH3COO]- 369.10269 182.4
[M+Na-2H]- 331.06351 171.4
[M]+ 310.08829 173.1
[M]- 310.08939 173.1
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.