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]+ 300.181896 172.9
[M+Na]+ 322.163838 178.2
[M-H]- 298.167344 177.1
[M+NH4]+ 317.208443 186.1
[M+K]+ 338.137778 174.5
[M+H-H2O]+ 282.171880 164.0
[M+HCOO]- 344.172821 194.3
[M+CH3COO]- 358.188471 210.6
[M+Na-2H]- 320.149286 175.2
[M]+ 299.17407142 170.2
[M]- 299.17516858 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.