CID 3073388

4-isoquinolinecarboxamide, 1,2-dihydro-n-(2-(dimethylamino)ethyl)-2-methyl-1-oxo-

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CN1C=C(C2=CC=CC=C2C1=O)C(=O)NCCN(C)C
InChI
InChI=1S/C15H19N3O2/c1-17(2)9-8-16-14(19)13-10-18(3)15(20)12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKey
WBWWSXIZSFIZNA-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 162.7
[M+Na]+ 296.13696 174.8
[M+NH4]+ 291.18156 169.8
[M+K]+ 312.11090 168.5
[M-H]- 272.14046 165.5
[M+Na-2H]- 294.12241 168.4
[M]+ 273.14719 165.0
[M]- 273.14829 165.0
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.