PubChemLite - Mitindomide (C14H12N2O4)

Structural Information

Molecular Formula

SMILES

C1=C[C@H]2[C@@H]3[C@H]([C@@H]1[C@@H]4[C@H]2C(=O)NC4=O)[C@@H]5[C@H]3C(=O)NC5=O

InChI

InChI=1S/C14H12N2O4/c17-11-7-3-1-2-4(8(7)12(18)15-11)6-5(3)9-10(6)14(20)16-13(9)19/h1-10H,(H,15,17,18)(H,16,19,20)/t3-,4+,5+,6-,7-,8+,9-,10+

InChIKey

DRCJGCOYHLTVNR-ZUIZSQJWSA-N

Compound name

(1R,2S,3R,7S,8R,9S,10S,14R)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

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]+	273.08698	160.6
[M+Na]+	295.06892	166.1
[M-H]-	271.07242	159.5
[M+NH4]+	290.11352	175.7
[M+K]+	311.04286	164.0
[M+H-H2O]+	255.07696	151.5
[M+HCOO]-	317.07790	166.1
[M+CH3COO]-	331.09355	169.1
[M+Na-2H]-	293.05437	161.4
[M]+	272.07915	168.3
[M]-	272.08025	168.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

273.08698

160.6

[M+Na]+

295.06892

166.1

[M-H]-

271.07242

159.5

[M+NH4]+

290.11352

175.7

[M+K]+

311.04286

164.0

[M+H-H2O]+

255.07696

151.5

[M+HCOO]-

317.07790

166.1

[M+CH3COO]-

331.09355

169.1

[M+Na-2H]-

293.05437

161.4

[M]+

272.07915

168.3

[M]-

272.08025

168.3

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

Mitindomide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe