CID 25178885

180468-42-2

Structural Information

Molecular Formula
C18H19NO2
SMILES
CCOC(=O)N1CCC2=CC=CC=C2[C@@H]1C3=CC=CC=C3
InChI
InChI=1S/C18H19NO2/c1-2-21-18(20)19-13-12-14-8-6-7-11-16(14)17(19)15-9-4-3-5-10-15/h3-11,17H,2,12-13H2,1H3/t17-/m0/s1
InChIKey
DKKVDRQVNMALLN-KRWDZBQOSA-N
Compound name
ethyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

281.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 166.5
[M+Na]+ 304.13079 181.2
[M+NH4]+ 299.17539 175.4
[M+K]+ 320.10473 172.7
[M-H]- 280.13429 171.2
[M+Na-2H]- 302.11624 174.7
[M]+ 281.14102 170.0
[M]- 281.14212 170.0
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

patents stripe