CID 119085988

N,n-dimethyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN(C)C(=O)C1=CNC(=O)C2=CC=CC=C21
InChI
InChI=1S/C12H12N2O2/c1-14(2)12(16)10-7-13-11(15)9-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,13,15)
InChIKey
OYRZTRJAYYQJFB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-oxo-2H-isoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 144.9
[M+Na]+ 239.07909 153.4
[M-H]- 215.08259 148.6
[M+NH4]+ 234.12369 163.0
[M+K]+ 255.05303 150.7
[M+H-H2O]+ 199.08713 137.9
[M+HCOO]- 261.08807 166.9
[M+CH3COO]- 275.10372 191.2
[M+Na-2H]- 237.06454 151.5
[M]+ 216.08932 145.4
[M]- 216.09042 145.4
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

No patent data available for this compound.