CID 5861256

4-tert-butyl-n'-(1-(4-(1h-tetraazol-1-yl)phenyl)ethylidene)benzohydrazide

Structural Information

Molecular Formula

C₂₀H₂₂N₆O

SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)C(C)(C)C)/C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C20H22N6O/c1-14(15-7-11-18(12-8-15)26-13-21-24-25-26)22-23-19(27)16-5-9-17(10-6-16)20(2,3)4/h5-13H,1-4H3,(H,23,27)/b22-14+

InChIKey

UAJZSHNAXSNJMU-HYARGMPZSA-N

Compound name

4-tert-butyl-N-[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.18552 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.192796	188.8
[M+Na]+	385.174738	194.8
[M-H]-	361.178244	195.2
[M+NH4]+	380.219343	197.3
[M+K]+	401.148678	189.9
[M+H-H2O]+	345.182780	177.0
[M+HCOO]-	407.183721	208.4
[M+CH3COO]-	421.199371	221.7
[M+Na-2H]-	383.160186	192.6
[M]+	362.18497142	189.4
[M]-	362.18606858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.