CID 9556226

Chembl1958253

Structural Information

Molecular Formula

C₁₈H₂₁N₃O₃

SMILES

CN(C)CC1=C(C=CC(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H21N3O3/c1-21(2)12-15-10-14(6-9-17(15)22)18(23)20-19-11-13-4-7-16(24-3)8-5-13/h4-11,22H,12H2,1-3H3,(H,20,23)/b19-11+

InChIKey

HSMCOUDGGGGSNH-YBFXNURJSA-N

Compound name

3-[(dimethylamino)methyl]-4-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 327.1583 Da
Monoisotopic Mass: 2.3
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]+	328.165576	177.8
[M+Na]+	350.147518	183.0
[M-H]-	326.151024	185.9
[M+NH4]+	345.192123	191.5
[M+K]+	366.121458	180.9
[M+H-H2O]+	310.155560	168.4
[M+HCOO]-	372.156501	204.3
[M+CH3COO]-	386.172151	220.2
[M+Na-2H]-	348.132966	180.8
[M]+	327.15775142	180.6
[M]-	327.15884858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.