CID 3041426

Brn 0494965

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2
InChI
InChI=1S/C19H21N3O2/c1-2-20-12-18(24)21-15-9-7-13(8-10-15)19-16-6-4-3-5-14(16)11-17(23)22-19/h3-10,19-20H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKey
AQFAQLIHVNBKGT-UHFFFAOYSA-N
Compound name
2-(ethylamino)-N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

323.1634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 177.7
[M+Na]+ 346.15262 189.3
[M+NH4]+ 341.19722 184.6
[M+K]+ 362.12656 181.9
[M-H]- 322.15612 182.0
[M+Na-2H]- 344.13807 183.9
[M]+ 323.16285 180.3
[M]- 323.16395 180.3
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

patents stripe