CID 6867071

3-isopropyl-n'-(3-methoxybenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C15H18N4O2
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H18N4O2/c1-10(2)13-8-14(18-17-13)15(20)19-16-9-11-5-4-6-12(7-11)21-3/h4-10H,1-3H3,(H,17,18)(H,19,20)/b16-9+
InChIKey
YOFWRWXTIJMCQB-CXUHLZMHSA-N
Compound name
N-[(E)-(3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.14297 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15025 167.1
[M+Na]+ 309.13219 173.2
[M-H]- 285.13569 171.5
[M+NH4]+ 304.17679 181.2
[M+K]+ 325.10613 169.9
[M+H-H2O]+ 269.14023 157.8
[M+HCOO]- 331.14117 190.3
[M+CH3COO]- 345.15682 205.4
[M+Na-2H]- 307.11764 169.5
[M]+ 286.14242 167.8
[M]- 286.14352 167.8
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.