CID 3048894

Brn 0443206

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCCNCC(=O)NC1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2
InChI
InChI=1S/C20H23N3O2/c1-2-11-21-13-19(25)22-17-10-6-5-9-16(17)20-15-8-4-3-7-14(15)12-18(24)23-20/h3-10,20-21H,2,11-13H2,1H3,(H,22,25)(H,23,24)
InChIKey
NYASMVOUDSCZDH-UHFFFAOYSA-N
Compound name
N-[2-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.17902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 179.9
[M+Na]+ 360.16824 183.9
[M-H]- 336.17174 183.7
[M+NH4]+ 355.21284 191.4
[M+K]+ 376.14218 177.9
[M+H-H2O]+ 320.17628 170.4
[M+HCOO]- 382.17722 198.1
[M+CH3COO]- 396.19287 215.0
[M+Na-2H]- 358.15369 183.5
[M]+ 337.17847 176.2
[M]- 337.17957 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.