CID 7222352

N'-[(1z)-1-(4-aminophenyl)ethylidene]-5-tert-butyl-1h-pyrazole-3-carbohydrazide

Structural Information

Molecular Formula
C16H21N5O
SMILES
C/C(=N\NC(=O)C1=NNC(=C1)C(C)(C)C)/C2=CC=C(C=C2)N
InChI
InChI=1S/C16H21N5O/c1-10(11-5-7-12(17)8-6-11)18-21-15(22)13-9-14(20-19-13)16(2,3)4/h5-9H,17H2,1-4H3,(H,19,20)(H,21,22)/b18-10+
InChIKey
GPEOSYGGLVTOJB-VCHYOVAHSA-N
Compound name
N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-tert-butyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18190 172.9
[M+Na]+ 322.16384 178.2
[M-H]- 298.16734 177.1
[M+NH4]+ 317.20844 186.1
[M+K]+ 338.13778 174.5
[M+H-H2O]+ 282.17188 164.0
[M+HCOO]- 344.17282 194.3
[M+CH3COO]- 358.18847 210.6
[M+Na-2H]- 320.14929 175.2
[M]+ 299.17407 170.2
[M]- 299.17517 170.2
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.