CID 154699622

Ns00117377

Structural Information

Molecular Formula
C19H22N2O4
SMILES
C1[C@@H]2CC(C[C@H]3N2C[C@H](C1C3)O)OC(=O)C4=CNC5=C4C=C(C=C5)O
InChI
InChI=1S/C19H22N2O4/c22-13-1-2-17-15(7-13)16(8-20-17)19(24)25-14-5-11-3-10-4-12(6-14)21(11)9-18(10)23/h1-2,7-8,10-12,14,18,20,22-23H,3-6,9H2/t10?,11-,12+,14?,18-/m1/s1
InChIKey
GQVSIRWNARNIIA-HGBKZWNCSA-N
Compound name
[(3S,7R,10S)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 5-hydroxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
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]+ 343.16524 174.0
[M+Na]+ 365.14718 184.4
[M+NH4]+ 360.19178 182.7
[M+K]+ 381.12112 180.3
[M-H]- 341.15068 173.0
[M+Na-2H]- 363.13263 170.8
[M]+ 342.15741 174.9
[M]- 342.15851 174.9
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.