CID 6900546

N'-(2-chlorobenzylidene)-3-isopropyl-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C14H15ClN4O
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C14H15ClN4O/c1-9(2)12-7-13(18-17-12)14(20)19-16-8-10-5-3-4-6-11(10)15/h3-9H,1-2H3,(H,17,18)(H,19,20)/b16-8+
InChIKey
WDKCGISYJVSXPB-LZYBPNLTSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.09344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10072 167.4
[M+Na]+ 313.08266 174.8
[M-H]- 289.08616 171.7
[M+NH4]+ 308.12726 182.2
[M+K]+ 329.05660 169.3
[M+H-H2O]+ 273.09070 158.8
[M+HCOO]- 335.09164 186.0
[M+CH3COO]- 349.10729 203.9
[M+Na-2H]- 311.06811 169.5
[M]+ 290.09289 168.4
[M]- 290.09399 168.4
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.