CID 204054

Ns00124431

Structural Information

Molecular Formula
C22H23NO3
SMILES
CCOC(=O)C[C@H]1C2=C([C@H](CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2
InChI
InChI=1S/C22H23NO3/c1-2-25-20(24)13-19-22-21(17-10-6-7-11-18(17)23-22)16(14-26-19)12-15-8-4-3-5-9-15/h3-11,16,19,23H,2,12-14H2,1H3/t16-,19-/m0/s1
InChIKey
POEKLEWUCNVWLT-LPHOPBHVSA-N
Compound name
ethyl 2-[(1S,4R)-4-benzyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.175076 183.9
[M+Na]+ 372.157018 190.7
[M-H]- 348.160524 190.0
[M+NH4]+ 367.201623 197.2
[M+K]+ 388.130958 185.7
[M+H-H2O]+ 332.165060 175.2
[M+HCOO]- 394.166001 200.3
[M+CH3COO]- 408.181651 193.7
[M+Na-2H]- 370.142466 186.6
[M]+ 349.16725142 185.7
[M]- 349.16834858 185.7
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.