CID 3041496

54153-06-9

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCC3=CC=CC=C3C2
InChI
InChI=1S/C20H25N3O/c1-3-20(24)23(19-10-6-7-12-21-19)16(2)14-22-13-11-17-8-4-5-9-18(17)15-22/h4-10,12,16H,3,11,13-15H2,1-2H3
InChIKey
IIPHWTPAAJKLHD-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 179.4
[M+Na]+ 346.188988 182.4
[M-H]- 322.192494 183.9
[M+NH4]+ 341.233593 191.2
[M+K]+ 362.162928 178.6
[M+H-H2O]+ 306.197030 168.5
[M+HCOO]- 368.197971 195.7
[M+CH3COO]- 382.213621 215.2
[M+Na-2H]- 344.174436 182.3
[M]+ 323.19922142 177.6
[M]- 323.20031858 177.6
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.