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]+ 380.233256 194.3
[M+Na]+ 402.215198 197.2
[M-H]- 378.218704 198.0
[M+NH4]+ 397.259803 204.1
[M+K]+ 418.189138 191.9
[M+H-H2O]+ 362.223240 184.9
[M+HCOO]- 424.224181 209.3
[M+CH3COO]- 438.239831 227.1
[M+Na-2H]- 400.200646 193.1
[M]+ 379.22543142 190.7
[M]- 379.22652858 190.7
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.