CID 154699835

Ns00117565

Structural Information

Molecular Formula
C19H22N2O4
SMILES
C1[C@@H]2CC(C[C@H]3N2C[C@H](C1C3)O)OC(=O)C4=CNC5=C4C=CC=C5O
InChI
InChI=1S/C19H22N2O4/c22-16-3-1-2-14-15(8-20-18(14)16)19(24)25-13-6-11-4-10-5-12(7-13)21(11)9-17(10)23/h1-3,8,10-13,17,20,22-23H,4-7,9H2/t10?,11-,12+,13?,17-/m1/s1
InChIKey
OBVOORYFKGUOIG-MJRCBCLYSA-N
Compound name
[(3S,7R,10S)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 7-hydroxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.165236 171.5
[M+Na]+ 365.147178 174.8
[M-H]- 341.150684 168.1
[M+NH4]+ 360.191783 187.1
[M+K]+ 381.121118 169.6
[M+H-H2O]+ 325.155220 163.7
[M+HCOO]- 387.156161 174.3
[M+CH3COO]- 401.171811 178.0
[M+Na-2H]- 363.132626 176.2
[M]+ 342.15741142 170.5
[M]- 342.15850858 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

literature stripe

Patent stripe

No patent data available for this compound.