CID 40987

54087-44-4

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2
InChI
InChI=1S/C18H19N3O2/c1-19-11-17(23)20-14-8-6-12(7-9-14)18-15-5-3-2-4-13(15)10-16(22)21-18/h2-9,18-19H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKey
MWAVQYYNMDPWIO-UHFFFAOYSA-N
Compound name
2-(methylamino)-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

0
Patents

309.14774 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 171.1
[M+Na]+ 332.13696 176.1
[M-H]- 308.14046 175.4
[M+NH4]+ 327.18156 183.9
[M+K]+ 348.11090 170.5
[M+H-H2O]+ 292.14500 162.1
[M+HCOO]- 354.14594 190.0
[M+CH3COO]- 368.16159 209.1
[M+Na-2H]- 330.12241 175.7
[M]+ 309.14719 166.7
[M]- 309.14829 166.7
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.