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]+ 392.233256 198.0
[M+Na]+ 414.215198 201.2
[M-H]- 390.218704 202.7
[M+NH4]+ 409.259803 207.6
[M+K]+ 430.189138 194.5
[M+H-H2O]+ 374.223240 186.4
[M+HCOO]- 436.224181 209.1
[M+CH3COO]- 450.239831 204.2
[M+Na-2H]- 412.200646 198.4
[M]+ 391.22543142 190.4
[M]- 391.22652858 190.4
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.