CID 3086240

Tolgabide

Structural Information

Molecular Formula

C₁₈H₁₈Cl₂N₂O₂

SMILES

CC1=CC(=CC(=C1O)C(=NCCCC(=O)N)C2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O2/c1-11-9-14(20)10-15(18(11)24)17(22-8-2-3-16(21)23)12-4-6-13(19)7-5-12/h4-7,9-10,24H,2-3,8H2,1H3,(H2,21,23)

InChIKey

AOAFGVWKONLQRN-UHFFFAOYSA-N

Compound name

4-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]butanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 258
Patents: 364.07452 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]+	365.081796	184.4
[M+Na]+	387.063738	192.4
[M-H]-	363.067244	190.1
[M+NH4]+	382.108343	197.8
[M+K]+	403.037678	185.3
[M+H-H2O]+	347.071780	178.2
[M+HCOO]-	409.072721	198.2
[M+CH3COO]-	423.088371	219.4
[M+Na-2H]-	385.049186	183.5
[M]+	364.07397142	188.1
[M]-	364.07506858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe