CID 3061268

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

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)NCCN(C)C
InChI
InChI=1S/C21H23N3O2/c1-23(2)14-13-22-20(25)19-18(15-9-5-4-6-10-15)16-11-7-8-12-17(16)21(26)24(19)3/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKey
ZBTFZQLHRQFYPQ-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 184.7
[M+Na]+ 372.168238 191.6
[M-H]- 348.171744 192.3
[M+NH4]+ 367.212843 197.5
[M+K]+ 388.142178 187.3
[M+H-H2O]+ 332.176280 174.5
[M+HCOO]- 394.177221 207.2
[M+CH3COO]- 408.192871 224.1
[M+Na-2H]- 370.153686 188.3
[M]+ 349.17847142 187.4
[M]- 349.17956858 187.4
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

No patent data available for this compound.