PubChemLite - Sontigidomide (C26H22F3N3O5)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC(=O)C(=O)C4=CC=C(C=C4)C5(CC5)C(F)(F)F

InChI

InChI=1S/C26H22F3N3O5/c27-26(28,29)25(9-10-25)17-4-2-15(3-5-17)21(34)23(36)30-12-14-1-6-18-16(11-14)13-32(24(18)37)19-7-8-20(33)31-22(19)35/h1-6,11,19H,7-10,12-13H2,(H,30,36)(H,31,33,35)

InChIKey

SKAIDPMCBUKTDS-UHFFFAOYSA-N

Compound name

N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

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]+	514.15848	213.5
[M+Na]+	536.14042	220.0
[M-H]-	512.14392	218.8
[M+NH4]+	531.18502	215.4
[M+K]+	552.11436	212.8
[M+H-H2O]+	496.14846	203.3
[M+HCOO]-	558.14940	221.7
[M+CH3COO]-	572.16505	242.8
[M+Na-2H]-	534.12587	210.1
[M]+	513.15065	209.6
[M]-	513.15175	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.15848

213.5

[M+Na]+

536.14042

220.0

[M-H]-

512.14392

218.8

[M+NH4]+

531.18502

215.4

[M+K]+

552.11436

212.8

[M+H-H2O]+

496.14846

203.3

[M+HCOO]-

558.14940

221.7

[M+CH3COO]-

572.16505

242.8

[M+Na-2H]-

534.12587

210.1

[M]+

513.15065

209.6

[M]-

513.15175

209.6

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

Sontigidomide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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