CID 16074483

Methyl 1-(8-{[(3s,4s)-1-(methoxycarbonyl)-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
C29H39N5O4
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)OC
InChI
InChI=1S/C29H39N5O4/c1-19-30-26-18-31(28(35)37-2)12-11-27(26)34(19)24-13-22-9-10-23(14-24)33(22)16-21-15-32(29(36)38-3)17-25(21)20-7-5-4-6-8-20/h4-8,21-25H,9-18H2,1-3H3/t21-,22-,23+,24?,25-/m1/s1
InChIKey
LPCLWTYGQPYDSR-FCQNWVOVSA-N
Compound name
methyl 1-[(1R,5S)-8-[[(3S,4S)-1-methoxycarbonyl-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

521.30023 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.30751 228.3
[M+Na]+ 544.28945 229.9
[M-H]- 520.29295 234.3
[M+NH4]+ 539.33405 234.4
[M+K]+ 560.26339 225.2
[M+H-H2O]+ 504.29749 217.4
[M+HCOO]- 566.29843 232.5
[M+CH3COO]- 580.31408 232.0
[M+Na-2H]- 542.27490 215.3
[M]+ 521.29968 225.7
[M]- 521.30078 225.7
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.