CID 91773

Tebufenozide

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C
InChI
InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
InChIKey
QYPNKSZPJQQLRK-UHFFFAOYSA-N
Compound name
N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

230
References

34640
Patents

352.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.0
[M+Na]+ 375.20432 192.9
[M-H]- 351.20782 196.0
[M+NH4]+ 370.24892 201.5
[M+K]+ 391.17826 190.5
[M+H-H2O]+ 335.21236 179.7
[M+HCOO]- 397.21330 209.5
[M+CH3COO]- 411.22895 224.7
[M+Na-2H]- 373.18977 188.3
[M]+ 352.21455 190.4
[M]- 352.21565 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe