CID 16074494

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

Structural Information

Molecular Formula
C27H37N5O
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)CCNC2
InChI
InChI=1S/C27H37N5O/c1-18-29-26-14-28-11-10-27(26)32(18)24-12-22-8-9-23(13-24)31(22)16-21-15-30(19(2)33)17-25(21)20-6-4-3-5-7-20/h3-7,21-25,28H,8-17H2,1-2H3/t21-,22-,23+,24?,25-/m1/s1
InChIKey
SCGSMOCIXDXVTC-FCQNWVOVSA-N
Compound name
1-[(3S,4S)-3-[[(1R,5S)-3-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-4-phenylpyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.2998 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.30708 213.2
[M+Na]+ 470.28902 215.5
[M-H]- 446.29252 217.7
[M+NH4]+ 465.33362 221.8
[M+K]+ 486.26296 208.0
[M+H-H2O]+ 430.29706 201.7
[M+HCOO]- 492.29800 217.2
[M+CH3COO]- 506.31365 217.4
[M+Na-2H]- 468.27447 201.3
[M]+ 447.29925 205.5
[M]- 447.30035 205.5
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.