CID 10064672

128073-49-4

Structural Information

Molecular Formula
C17H23NO5
SMILES
CCOC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)O
InChI
InChI=1S/C17H23NO5/c1-5-22-15(20)14-13-7-6-12(19)10-11(13)8-9-18(14)16(21)23-17(2,3)4/h6-7,10,14,19H,5,8-9H2,1-4H3
InChIKey
HOPREPHTFMBXEI-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 1-O-ethyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

321.15762 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 174.2
[M+Na]+ 344.14684 183.7
[M+NH4]+ 339.19144 179.2
[M+K]+ 360.12078 180.3
[M-H]- 320.15034 172.8
[M+Na-2H]- 342.13229 175.8
[M]+ 321.15707 174.8
[M]- 321.15817 174.8
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

patents stripe