PubChemLite - Chembl334807 (C24H43N5O6)

Structural Information

Molecular Formula

SMILES

CC(C(=O)C(=O)N(C)C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C

InChI

InChI=1S/C24H43N5O6/c1-14(18(32)22(35)29(10)11)25-20(33)15(12-17(31)28(8)9)26-21(34)19(24(5,6)7)27-16(30)13-23(2,3)4/h14-15,19H,12-13H2,1-11H3,(H,25,33)(H,26,34)(H,27,30)/t14?,15-,19+/m0/s1

InChIKey

PDEFQVODXHHGAI-DZNRSUDRSA-N

Compound name

(2S)-N-[4-(dimethylamino)-3,4-dioxobutan-2-yl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-N',N'-dimethylbutanediamide

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]+	498.32860	214.3
[M+Na]+	520.31054	233.4
[M-H]-	496.31404	236.4
[M+NH4]+	515.35514	235.7
[M+K]+	536.28448	230.9
[M+H-H2O]+	480.31858	215.9
[M+HCOO]-	542.31952	202.9
[M+CH3COO]-	556.33517	262.9
[M+Na-2H]-	518.29599	212.4
[M]+	497.32077	210.4
[M]-	497.32187	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.32860

214.3

[M+Na]+

520.31054

233.4

[M-H]-

496.31404

236.4

[M+NH4]+

515.35514

235.7

[M+K]+

536.28448

230.9

[M+H-H2O]+

480.31858

215.9

[M+HCOO]-

542.31952

202.9

[M+CH3COO]-

556.33517

262.9

[M+Na-2H]-

518.29599

212.4

[M]+

497.32077

210.4

[M]-

497.32187

210.4

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

Chembl334807

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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