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 166.8
[M+Na]+ 325.07142 180.6
[M+NH4]+ 320.11602 176.5
[M+K]+ 341.04536 172.7
[M-H]- 301.07492 170.6
[M+Na-2H]- 323.05687 174.5
[M]+ 302.08165 170.2
[M]- 302.08275 170.2
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.