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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08948 168.1
[M+Na]+ 325.07142 178.5
[M-H]- 301.07492 173.3
[M+NH4]+ 320.11602 186.7
[M+K]+ 341.04536 171.4
[M+H-H2O]+ 285.07946 161.6
[M+HCOO]- 347.08040 184.6
[M+CH3COO]- 361.09605 179.8
[M+Na-2H]- 323.05687 171.4
[M]+ 302.08165 169.3
[M]- 302.08275 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.