CID 40986

Brn 0499471

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CC(C)C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CNC(C)C
InChI
InChI=1S/C23H29N3O2/c1-14(2)21-18-7-5-6-8-19(18)22(26-23(21)28)16-9-11-17(12-10-16)25-20(27)13-24-15(3)4/h5-12,14-15,21-22,24H,13H2,1-4H3,(H,25,27)(H,26,28)
InChIKey
PWVTZSFIYJSYCX-UHFFFAOYSA-N
Compound name
N-[4-(3-oxo-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.22598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 194.8
[M+Na]+ 402.21520 205.2
[M+NH4]+ 397.25980 200.8
[M+K]+ 418.18914 198.7
[M-H]- 378.21870 198.6
[M+Na-2H]- 400.20065 199.1
[M]+ 379.22543 197.1
[M]- 379.22653 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.