PubChemLite - 891824-47-8 (C34H50F2N4O3)

Structural Information

Molecular Formula

SMILES

CC(C)N1C(=O)N(CC12C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)CC6CCOCC6

InChI

InChI=1S/C34H50F2N4O3/c1-24(2)40-32(42)38(22-25-13-18-43-19-14-25)23-33(40)20-28-8-9-29(21-33)39(28)17-12-30(26-6-4-3-5-7-26)37-31(41)27-10-15-34(35,36)16-11-27/h3-7,24-25,27-30H,8-23H2,1-2H3,(H,37,41)/t28-,29+,30-,33?/m0/s1

InChIKey

YZGXEGUSPLSQOJ-VUQZBIHUSA-N

Compound name

4,4-difluoro-N-[(1S)-3-[(1S,5R)-1'-(oxan-4-ylmethyl)-2'-oxo-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	601.39238	246.2
[M+Na]+	623.37432	242.9
[M-H]-	599.37782	250.2
[M+NH4]+	618.41892	250.4
[M+K]+	639.34826	237.8
[M+H-H2O]+	583.38236	232.2
[M+HCOO]-	645.38330	243.1
[M+CH3COO]-	659.39895	246.1
[M+Na-2H]-	621.35977	232.8
[M]+	600.38455	233.4
[M]-	600.38565	233.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

601.39238

246.2

[M+Na]+

623.37432

242.9

[M-H]-

599.37782

250.2

[M+NH4]+

618.41892

250.4

[M+K]+

639.34826

237.8

[M+H-H2O]+

583.38236

232.2

[M+HCOO]-

645.38330

243.1

[M+CH3COO]-

659.39895

246.1

[M+Na-2H]-

621.35977

232.8

[M]+

600.38455

233.4

[M]-

600.38565

233.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

891824-47-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe