CID 36076

3-aminomethyl-1-(p-chlorobenzyl)-3-hydroxyindolin-2-one hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₂

SMILES

C1=CC=C2C(=C1)C(C(=O)N2CC3=CC=C(C=C3)Cl)(CN)O

InChI

InChI=1S/C16H15ClN2O2/c17-12-7-5-11(6-8-12)9-19-14-4-2-1-3-13(14)16(21,10-18)15(19)20/h1-8,21H,9-10,18H2

InChIKey

OBIFJVJISZOGEC-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.0822 Da
Monoisotopic Mass: 2.0
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]+	303.089476	168.1
[M+Na]+	325.071418	178.5
[M-H]-	301.074924	173.3
[M+NH4]+	320.116023	186.7
[M+K]+	341.045358	171.4
[M+H-H2O]+	285.079460	161.6
[M+HCOO]-	347.080401	184.6
[M+CH3COO]-	361.096051	179.8
[M+Na-2H]-	323.056866	171.4
[M]+	302.08165142	169.3
[M]-	302.08274858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.