CID 3073394

1,2-dihydro-n,n-bis(2-methylpropyl)-2-methyl-1-oxo-4-isoquinolinecarboxamide

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC(C)CN(CC(C)C)C(=O)C1=CN(C(=O)C2=CC=CC=C21)C
InChI
InChI=1S/C19H26N2O2/c1-13(2)10-21(11-14(3)4)19(23)17-12-20(5)18(22)16-9-7-6-8-15(16)17/h6-9,12-14H,10-11H2,1-5H3
InChIKey
AVMWGDNIUOPLBF-UHFFFAOYSA-N
Compound name
2-methyl-N,N-bis(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 175.7
[M+Na]+ 337.18865 187.5
[M+NH4]+ 332.23325 182.4
[M+K]+ 353.16259 181.6
[M-H]- 313.19215 177.7
[M+Na-2H]- 335.17410 180.0
[M]+ 314.19888 177.8
[M]- 314.19998 177.8
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.