CID 54323

78945-78-5

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CN(C)CCNC(=O)C1=C(C2=CC=CC=C2C(=N1)OC)C3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2/c1-24(2)14-13-22-20(25)19-18(15-9-5-4-6-10-15)16-11-7-8-12-17(16)21(23-19)26-3/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKey
DTGPKWDUELKICH-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-1-methoxy-4-phenylisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 184.9
[M+Na]+ 372.168238 190.7
[M-H]- 348.171744 192.1
[M+NH4]+ 367.212843 197.4
[M+K]+ 388.142178 186.9
[M+H-H2O]+ 332.176280 174.5
[M+HCOO]- 394.177221 207.3
[M+CH3COO]- 408.192871 223.5
[M+Na-2H]- 370.153686 189.4
[M]+ 349.17847142 188.0
[M]- 349.17956858 188.0
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.