CID 16074484

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

Structural Information

Molecular Formula
C29H39N5O3
SMILES
CC1=NC2=C(N1C3C[C@H]4CC[C@@H](C3)N4C[C@H]5CN(C[C@@H]5C6=CC=CC=C6)C(=O)OC)CCN(C2)C(=O)C
InChI
InChI=1S/C29H39N5O3/c1-19-30-27-18-31(20(2)35)12-11-28(27)34(19)25-13-23-9-10-24(14-25)33(23)16-22-15-32(29(36)37-3)17-26(22)21-7-5-4-6-8-21/h4-8,22-26H,9-18H2,1-3H3/t22-,23-,24+,25?,26-/m1/s1
InChIKey
USKOQYZEGZGXDO-SHYRQKFKSA-N
Compound name
methyl (3S,4S)-3-[[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-4-phenylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.3053 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.31258 226.5
[M+Na]+ 528.29452 228.5
[M-H]- 504.29802 232.5
[M+NH4]+ 523.33912 233.4
[M+K]+ 544.26846 222.9
[M+H-H2O]+ 488.30256 215.5
[M+HCOO]- 550.30350 230.6
[M+CH3COO]- 564.31915 230.4
[M+Na-2H]- 526.27997 213.1
[M]+ 505.30475 222.7
[M]- 505.30585 222.7
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.