CID 53316710

Pf-232798

Structural Information

Molecular Formula
C29H40FN5O2
SMILES
CC1=NC2=C(N1C3C[C@H]4CC[C@@H](C3)N4CC[C@@H](C5=CC(=CC=C5)F)NC(=O)C)CCN(C2)C(=O)C(C)C
InChI
InChI=1S/C29H40FN5O2/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36)/t23-,24+,25?,26-/m0/s1
InChIKey
QETUKYDWZIRTEI-HLMSNRGBSA-N
Compound name
N-[(1S)-1-(3-fluorophenyl)-3-[(1R,5S)-3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

159
Patents

509.3166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.32388 226.3
[M+Na]+ 532.30582 232.8
[M+NH4]+ 527.35042 230.4
[M+K]+ 548.27976 231.4
[M-H]- 508.30932 226.7
[M+Na-2H]- 530.29127 224.5
[M]+ 509.31605 226.7
[M]- 509.31715 226.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe