CID 39051

Trans-ethyl 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-2(1h)-isoquinolinecarboxylate

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCOC(=O)N1CC2=C(C=C(C=C2)C(C)(C)C)C(C1C)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-6-26-22(25)24-15-18-12-13-19(23(3,4)5)14-20(18)21(16(24)2)17-10-8-7-9-11-17/h7-14,16,21H,6,15H2,1-5H3
InChIKey
ZPCHXUDRSPXTMC-UHFFFAOYSA-N
Compound name
ethyl 6-tert-butyl-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

351.21982 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.3
[M+Na]+ 374.20904 202.3
[M+NH4]+ 369.25364 196.2
[M+K]+ 390.18298 194.4
[M-H]- 350.21254 192.4
[M+Na-2H]- 372.19449 194.7
[M]+ 351.21927 191.7
[M]- 351.22037 191.7
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.