CID 39056

Trans-ethyl 3-methyl-4-phenyl-3,4-dihydro-2(1h)-isoquinolinecarboxylate

Structural Information

Molecular Formula
C19H21NO2
SMILES
CCOC(=O)N1CC2=CC=CC=C2C(C1C)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c1-3-22-19(21)20-13-16-11-7-8-12-17(16)18(14(20)2)15-9-5-4-6-10-15/h4-12,14,18H,3,13H2,1-2H3
InChIKey
LBDNFNIZWIELCP-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.9
[M+Na]+ 318.14645 177.4
[M-H]- 294.14995 176.6
[M+NH4]+ 313.19105 185.8
[M+K]+ 334.12039 172.9
[M+H-H2O]+ 278.15449 161.8
[M+HCOO]- 340.15543 188.7
[M+CH3COO]- 354.17108 204.2
[M+Na-2H]- 316.13190 174.0
[M]+ 295.15668 170.5
[M]- 295.15778 170.5
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.