CID 9950488

Methoxyfenozide-3-hydroxy

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₃

SMILES

CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)O)C)C

InChI

InChI=1S/C21H26N2O3/c1-13-10-14(2)12-16(11-13)20(26)23(21(4,5)6)22-19(25)17-8-7-9-18(24)15(17)3/h7-12,24H,1-6H3,(H,22,25)

InChIKey

BFKZZXWIAWMKQB-UHFFFAOYSA-N

Compound name

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-hydroxy-2-methylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 354.19434 Da
Monoisotopic Mass: 4.3
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]+	355.201616	186.4
[M+Na]+	377.183558	192.0
[M-H]-	353.187064	193.6
[M+NH4]+	372.228163	199.2
[M+K]+	393.157498	189.8
[M+H-H2O]+	337.191600	178.6
[M+HCOO]-	399.192541	206.9
[M+CH3COO]-	413.208191	222.9
[M+Na-2H]-	375.169006	186.2
[M]+	354.19379142	188.4
[M]-	354.19488858	188.4

Literature stripe

literature stripe

Patent stripe

patents stripe