CID 3041496

Brn 0437992

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]+ 324.20705 179.4
[M+Na]+ 346.18899 182.4
[M-H]- 322.19249 183.9
[M+NH4]+ 341.23359 191.2
[M+K]+ 362.16293 178.6
[M+H-H2O]+ 306.19703 168.5
[M+HCOO]- 368.19797 195.7
[M+CH3COO]- 382.21362 215.2
[M+Na-2H]- 344.17444 182.3
[M]+ 323.19922 177.6
[M]- 323.20032 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.