CID 3048892

64097-20-7

Structural Information

Molecular Formula
C15H12Cl2N2O
SMILES
C1C2=CC=CC=C2C(NC1=O)C3=C(C=CC(=C3Cl)N)Cl
InChI
InChI=1S/C15H12Cl2N2O/c16-10-5-6-11(18)14(17)13(10)15-9-4-2-1-3-8(9)7-12(20)19-15/h1-6,15H,7,18H2,(H,19,20)
InChIKey
RHJGJTBCYQLFNY-UHFFFAOYSA-N
Compound name
1-(3-amino-2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.03265 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03993 167.0
[M+Na]+ 329.02187 177.3
[M-H]- 305.02537 170.8
[M+NH4]+ 324.06647 182.1
[M+K]+ 344.99581 168.8
[M+H-H2O]+ 289.02991 160.6
[M+HCOO]- 351.03085 176.2
[M+CH3COO]- 365.04650 177.5
[M+Na-2H]- 327.00732 169.7
[M]+ 306.03210 165.7
[M]- 306.03320 165.7
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.