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 180.9
[M+Na]+ 360.16824 187.0
[M-H]- 336.17174 185.5
[M+NH4]+ 355.21284 194.9
[M+K]+ 376.14218 181.4
[M+H-H2O]+ 320.17628 172.2
[M+HCOO]- 382.17722 199.0
[M+CH3COO]- 396.19287 215.8
[M+Na-2H]- 358.15369 184.8
[M]+ 337.17847 178.0
[M]- 337.17957 178.0
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.