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]+ 302.18630 171.7
[M+Na]+ 324.16824 183.3
[M+NH4]+ 319.21284 178.5
[M+K]+ 340.14218 176.6
[M-H]- 300.17174 174.4
[M+Na-2H]- 322.15369 176.9
[M]+ 301.17847 173.9
[M]- 301.17957 173.9
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.