CID 3041506

54183-96-9

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC1(C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CNC)C
InChI
InChI=1S/C20H23N3O2/c1-20(2)16-7-5-4-6-15(16)18(23-19(20)25)13-8-10-14(11-9-13)22-17(24)12-21-3/h4-11,18,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKey
DFNNFJVYZRZOGF-UHFFFAOYSA-N
Compound name
N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)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 181.6
[M+Na]+ 360.16824 193.6
[M+NH4]+ 355.21284 189.9
[M+K]+ 376.14218 184.4
[M-H]- 336.17174 186.0
[M+Na-2H]- 358.15369 189.0
[M]+ 337.17847 184.5
[M]- 337.17957 184.5
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.