CID 39051

41958-51-4

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]+ 352.227096 189.2
[M+Na]+ 374.209038 195.3
[M-H]- 350.212544 194.8
[M+NH4]+ 369.253643 202.3
[M+K]+ 390.182978 190.7
[M+H-H2O]+ 334.217080 180.3
[M+HCOO]- 396.218021 204.0
[M+CH3COO]- 410.233671 217.1
[M+Na-2H]- 372.194486 190.4
[M]+ 351.21927142 190.0
[M]- 351.22036858 190.0
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.