CID 201398

5908-89-4

Structural Information

Molecular Formula
C34H42N2O4
SMILES
CN1C2CCC1CC(C2)C3(CCC(C4=CC=CC=C43)C(=O)OC5CC6CCC(C5)N6C)C(=O)OC7=CC=CC=C7
InChI
InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-22(18-23)34(33(38)40-27-8-4-3-5-9-27)17-16-30(29-10-6-7-11-31(29)34)32(37)39-28-20-25-14-15-26(21-28)36(25)2/h3-11,22-26,28,30H,12-21H2,1-2H3
InChIKey
AVAUQNOLDJXDPM-UHFFFAOYSA-N
Compound name
1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

542.31445 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.32173 235.4
[M+Na]+ 565.30367 244.4
[M+NH4]+ 560.34827 244.3
[M+K]+ 581.27761 238.2
[M-H]- 541.30717 240.1
[M+Na-2H]- 563.28912 235.7
[M]+ 542.31390 237.9
[M]- 542.31500 237.9
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.