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 198.0
[M+Na]+ 414.21520 201.2
[M-H]- 390.21870 202.7
[M+NH4]+ 409.25980 207.6
[M+K]+ 430.18914 194.5
[M+H-H2O]+ 374.22324 186.4
[M+HCOO]- 436.22418 209.1
[M+CH3COO]- 450.23983 204.2
[M+Na-2H]- 412.20065 198.4
[M]+ 391.22543 190.4
[M]- 391.22653 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.