CID 11692082

1-(8-{[(3s,4s)-1-(2-methylpropanoyl)-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
C31H43N5O2
SMILES
CC1=NC2=C(N1C3C[C@H]4CC[C@@H](C3)N4C[C@H]5CN(C[C@@H]5C6=CC=CC=C6)C(=O)C(C)C)CCN(C2)C(=O)C
InChI
InChI=1S/C31H43N5O2/c1-20(2)31(38)34-16-24(28(18-34)23-8-6-5-7-9-23)17-35-25-10-11-26(35)15-27(14-25)36-21(3)32-29-19-33(22(4)37)13-12-30(29)36/h5-9,20,24-28H,10-19H2,1-4H3/t24-,25-,26+,27?,28-/m1/s1
InChIKey
HTULOXYASNVJES-VLNFOUIWSA-N
Compound name
1-[(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-phenylpyrrolidin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.3417 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.34898 231.8
[M+Na]+ 540.33092 232.7
[M-H]- 516.33442 237.5
[M+NH4]+ 535.37552 238.2
[M+K]+ 556.30486 226.6
[M+H-H2O]+ 500.33896 220.8
[M+HCOO]- 562.33990 234.1
[M+CH3COO]- 576.35555 234.9
[M+Na-2H]- 538.31637 216.2
[M]+ 517.34115 226.8
[M]- 517.34225 226.8
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.