CID 3073389

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

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCN(CC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C
InChI
InChI=1S/C17H23N3O2/c1-4-20(5-2)11-10-18-16(21)15-12-19(3)17(22)14-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKey
RIZHAKRYEMDPSA-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 172.0
[M+Na]+ 324.168238 178.6
[M-H]- 300.171744 176.3
[M+NH4]+ 319.212843 187.2
[M+K]+ 340.142178 175.7
[M+H-H2O]+ 284.176280 163.3
[M+HCOO]- 346.177221 194.7
[M+CH3COO]- 360.192871 215.0
[M+Na-2H]- 322.153686 175.9
[M]+ 301.17847142 175.7
[M]- 301.17956858 175.7
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.