CID 16074487

Methyl 1-(8-{[(3s,4s)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]methyl}(1s,5r)-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

Structural Information

Molecular Formula
C30H41N5O4
SMILES
CC1=NC2=C(N1C3C[C@H]4CC[C@@H](C3)N4C[C@H]5CN(C[C@@H]5C6=CC=CC=C6)C(=O)COC)CCN(C2)C(=O)OC
InChI
InChI=1S/C30H41N5O4/c1-20-31-27-18-32(30(37)39-3)12-11-28(27)35(20)25-13-23-9-10-24(14-25)34(23)16-22-15-33(29(36)19-38-2)17-26(22)21-7-5-4-6-8-21/h4-8,22-26H,9-19H2,1-3H3/t22-,23-,24+,25?,26-/m1/s1
InChIKey
FOUWSEVXKIODME-SHYRQKFKSA-N
Compound name
methyl 1-[(1R,5S)-8-[[(3S,4S)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.31586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.32314 231.8
[M+Na]+ 558.30508 232.9
[M-H]- 534.30858 237.6
[M+NH4]+ 553.34968 237.3
[M+K]+ 574.27902 228.0
[M+H-H2O]+ 518.31312 220.8
[M+HCOO]- 580.31406 235.7
[M+CH3COO]- 594.32971 235.1
[M+Na-2H]- 556.29053 218.4
[M]+ 535.31531 229.6
[M]- 535.31641 229.6
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.