CID 3041430

Brn 0501144

Structural Information

Molecular Formula
C24H29N3O2
SMILES
CC1(C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CN4CCCCC4)C
InChI
InChI=1S/C24H29N3O2/c1-24(2)20-9-5-4-8-19(20)22(26-23(24)29)17-10-12-18(13-11-17)25-21(28)16-27-14-6-3-7-15-27/h4-5,8-13,22H,3,6-7,14-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKey
HOQLGIUIKZYHCD-UHFFFAOYSA-N
Compound name
N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.22598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.23326 198.4
[M+Na]+ 414.21520 210.7
[M+NH4]+ 409.25980 206.6
[M+K]+ 430.18914 200.6
[M-H]- 390.21870 203.8
[M+Na-2H]- 412.20065 205.8
[M]+ 391.22543 201.7
[M]- 391.22653 201.7
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.