CID 16074481

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

Structural Information

Molecular Formula
C30H42FN5O
SMILES
CC1=NC2=C(N1C3C[C@H]4CC[C@@H](C3)N4C[C@H]5CN(C[C@@H]5C6=CC(=CC=C6)F)C(=O)C)CCN(C2)C(C)C
InChI
InChI=1S/C30H42FN5O/c1-19(2)33-11-10-30-29(18-33)32-20(3)36(30)27-13-25-8-9-26(14-27)35(25)16-23-15-34(21(4)37)17-28(23)22-6-5-7-24(31)12-22/h5-7,12,19,23,25-28H,8-11,13-18H2,1-4H3/t23-,25-,26+,27?,28-/m1/s1
InChIKey
PCFUPEGREQIEOU-MSPRPQSXSA-N
Compound name
1-[(3S,4S)-3-(3-fluorophenyl)-4-[[(1R,5S)-3-(2-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.33734 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.34462 231.1
[M+Na]+ 530.32656 233.8
[M-H]- 506.33006 235.8
[M+NH4]+ 525.37116 238.3
[M+K]+ 546.30050 226.3
[M+H-H2O]+ 490.33460 219.1
[M+HCOO]- 552.33554 233.3
[M+CH3COO]- 566.35119 234.5
[M+Na-2H]- 528.31201 215.1
[M]+ 507.33679 225.3
[M]- 507.33789 225.3
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.