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

2
Patents

216.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 144.9
[M+Na]+ 239.079088 153.4
[M-H]- 215.082594 148.6
[M+NH4]+ 234.123693 163.0
[M+K]+ 255.053028 150.7
[M+H-H2O]+ 199.087130 137.9
[M+HCOO]- 261.088071 166.9
[M+CH3COO]- 275.103721 191.2
[M+Na-2H]- 237.064536 151.5
[M]+ 216.08932142 145.4
[M]- 216.09041858 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

patents stripe