CID 47292

64097-17-2

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H14N2O/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15/h1-8,15H,9,16H2,(H,17,18)
InChIKey
XUZIJAZCGHGONC-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.1
[M+Na]+ 261.09983 160.5
[M-H]- 237.10333 157.5
[M+NH4]+ 256.14443 169.2
[M+K]+ 277.07377 154.5
[M+H-H2O]+ 221.10787 145.1
[M+HCOO]- 283.10881 172.1
[M+CH3COO]- 297.12446 164.3
[M+Na-2H]- 259.08528 158.8
[M]+ 238.11006 147.4
[M]- 238.11116 147.4
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

patents stripe