CID 448258

N-(tert-butyl)-3,5-dimethyl-n'-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzohydrazide

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCO3)C)C
InChI
InChI=1S/C23H28N2O4/c1-14-11-15(2)13-17(12-14)22(27)25(23(4,5)6)24-21(26)18-7-8-19-20(16(18)3)29-10-9-28-19/h7-8,11-13H,9-10H2,1-6H3,(H,24,26)
InChIKey
JGJACZABNQGPMT-UHFFFAOYSA-N
Compound name
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

93
Patents

396.2049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 199.9
[M+Na]+ 419.19412 204.5
[M-H]- 395.19762 209.6
[M+NH4]+ 414.23872 209.5
[M+K]+ 435.16806 205.0
[M+H-H2O]+ 379.20216 191.1
[M+HCOO]- 441.20310 216.2
[M+CH3COO]- 455.21875 232.6
[M+Na-2H]- 417.17957 201.9
[M]+ 396.20435 202.9
[M]- 396.20545 202.9
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