PubChemLite - Bms-986463 (C32H33FN4O5)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)O[C@H]4CCN(C4)CC5=CC(=C6C(=C5)C=CC(=N6)C7CCOCC7)F

InChI

InChI=1S/C32H33FN4O5/c33-26-14-19(13-21-1-4-27(34-30(21)26)20-8-11-41-12-9-20)16-36-10-7-24(18-36)42-23-2-3-25-22(15-23)17-37(32(25)40)28-5-6-29(38)35-31(28)39/h1-4,13-15,20,24,28H,5-12,16-18H2,(H,35,38,39)/t24-,28-/m0/s1

InChIKey

JPTNRZBZSUZXCS-CUBQBAPOSA-N

Compound name

(3S)-3-[6-[(3S)-1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

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]+	573.25075	237.7
[M+Na]+	595.23269	240.1
[M-H]-	571.23619	246.4
[M+NH4]+	590.27729	237.6
[M+K]+	611.20663	233.0
[M+H-H2O]+	555.24073	223.4
[M+HCOO]-	617.24167	239.5
[M+CH3COO]-	631.25732	240.1
[M+Na-2H]-	593.21814	226.0
[M]+	572.24292	229.4
[M]-	572.24402	229.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.25075

237.7

[M+Na]+

595.23269

240.1

[M-H]-

571.23619

246.4

[M+NH4]+

590.27729

237.6

[M+K]+

611.20663

233.0

[M+H-H2O]+

555.24073

223.4

[M+HCOO]-

617.24167

239.5

[M+CH3COO]-

631.25732

240.1

[M+Na-2H]-

593.21814

226.0

[M]+

572.24292

229.4

[M]-

572.24402

229.4

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

Bms-986463

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe