CID 135704113

Scs 149

Structural Information

Molecular Formula

C₂₁H₂₇N₃O₃

SMILES

CC1=CC=CC=C1OCC(CN(C(C)C)/N=C/NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H27N3O3/c1-16(2)24(23-15-22-21(26)18-10-5-4-6-11-18)13-19(25)14-27-20-12-8-7-9-17(20)3/h4-12,15-16,19,25H,13-14H2,1-3H3,(H,22,23,26)

InChIKey

CQINCUVDUJRJSB-UHFFFAOYSA-N

Compound name

N-[(E)-[[2-hydroxy-3-(2-methylphenoxy)propyl]-propan-2-ylhydrazinylidene]methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 369.20523 Da
Monoisotopic Mass: 3.9
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]+	370.212506	191.8
[M+Na]+	392.194448	193.1
[M-H]-	368.197954	198.5
[M+NH4]+	387.239053	202.8
[M+K]+	408.168388	191.5
[M+H-H2O]+	352.202490	181.7
[M+HCOO]-	414.203431	215.2
[M+CH3COO]-	428.219081	228.4
[M+Na-2H]-	390.179896	192.3
[M]+	369.20468142	193.5
[M]-	369.20577858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.