CID 5894285

4-tert-butyl-n'-{(z)-1-[5-methyl-1-(3-nitrophenyl)-1h-1,2,3-triazol-4-yl]ethylidene}benzohydrazide

Structural Information

Molecular Formula
C22H24N6O3
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=CC=C(C=C3)C(C)(C)C)/C
InChI
InChI=1S/C22H24N6O3/c1-14(23-25-21(29)16-9-11-17(12-10-16)22(3,4)5)20-15(2)27(26-24-20)18-7-6-8-19(13-18)28(30)31/h6-13H,1-5H3,(H,25,29)/b23-14-
InChIKey
GPWRBNPQCADDLV-UCQKPKSFSA-N
Compound name
4-tert-butyl-N-[(Z)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.19098 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19826 196.5
[M+Na]+ 443.18020 208.2
[M+NH4]+ 438.22480 200.6
[M+K]+ 459.15414 208.0
[M-H]- 419.18370 201.5
[M+Na-2H]- 441.16565 204.0
[M]+ 420.19043 199.2
[M]- 420.19153 199.2
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.