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]+ 350.18630 184.7
[M+Na]+ 372.16824 191.6
[M-H]- 348.17174 192.3
[M+NH4]+ 367.21284 197.5
[M+K]+ 388.14218 187.3
[M+H-H2O]+ 332.17628 174.5
[M+HCOO]- 394.17722 207.2
[M+CH3COO]- 408.19287 224.1
[M+Na-2H]- 370.15369 188.3
[M]+ 349.17847 187.4
[M]- 349.17957 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.