CID 274068

Nsc119833

Structural Information

Molecular Formula
C15H14N2O
SMILES
CN1C(=O)C2=CC=CC=C2C1(C3=CC=CC=C3)N
InChI
InChI=1S/C15H14N2O/c1-17-14(18)12-9-5-6-10-13(12)15(17,16)11-7-3-2-4-8-11/h2-10H,16H2,1H3
InChIKey
UFKAZIHEPKPBQF-UHFFFAOYSA-N
Compound name
3-amino-2-methyl-3-phenylisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

238.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.0
[M+Na]+ 261.09983 162.9
[M-H]- 237.10333 159.7
[M+NH4]+ 256.14443 173.9
[M+K]+ 277.07377 157.8
[M+H-H2O]+ 221.10787 145.7
[M+HCOO]- 283.10881 175.9
[M+CH3COO]- 297.12446 166.2
[M+Na-2H]- 259.08528 158.4
[M]+ 238.11006 151.7
[M]- 238.11116 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.