CID 21690397

Schembl1045829

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

352.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 188.0
[M+Na]+ 375.204318 192.9
[M-H]- 351.207824 196.0
[M+NH4]+ 370.248923 201.5
[M+K]+ 391.178258 190.5
[M+H-H2O]+ 335.212360 179.7
[M+HCOO]- 397.213301 209.5
[M+CH3COO]- 411.228951 224.7
[M+Na-2H]- 373.189766 188.3
[M]+ 352.21455142 190.4
[M]- 352.21564858 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

No literature data available for this compound.

Patent stripe

patents stripe