CID 478519

7,8-dihydro-isoquinoline-6-carboxylic acid phenethyl-amide

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1CC2=C(C=CN=C2)C=C1C(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O/c21-18(20-11-8-14-4-2-1-3-5-14)16-6-7-17-13-19-10-9-15(17)12-16/h1-5,9-10,12-13H,6-8,11H2,(H,20,21)
InChIKey
CCPCYLRZXGDGBR-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-7,8-dihydroisoquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

278.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 164.6
[M+Na]+ 301.13112 169.8
[M-H]- 277.13462 169.8
[M+NH4]+ 296.17572 179.2
[M+K]+ 317.10506 164.5
[M+H-H2O]+ 261.13916 155.1
[M+HCOO]- 323.14010 185.0
[M+CH3COO]- 337.15575 175.0
[M+Na-2H]- 299.11657 171.3
[M]+ 278.14135 162.4
[M]- 278.14245 162.4
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.