PubChemLite - 69857-73-4 (C24H41N5O9)

Structural Information

Molecular Formula

SMILES

CCOC(=O)NN(C(=C(C1CCCCC1)N2CCOCC2)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C24H41N5O9/c1-5-35-21(30)25-28(23(32)37-7-3)20(29(24(33)38-8-4)26-22(31)36-6-2)19(18-12-10-9-11-13-18)27-14-16-34-17-15-27/h18H,5-17H2,1-4H3,(H,25,30)(H,26,31)

InChIKey

YNLOKVPDYGBMBM-UHFFFAOYSA-N

Compound name

ethyl N-[2-cyclohexyl-1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-morpholin-4-ylethenyl]-N-(ethoxycarbonylamino)carbamate

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]+	544.29768	225.6
[M+Na]+	566.27962	218.1
[M-H]-	542.28312	230.1
[M+NH4]+	561.32422	226.2
[M+K]+	582.25356	224.3
[M+H-H2O]+	526.28766	214.6
[M+HCOO]-	588.28860	237.9
[M+CH3COO]-	602.30425	258.1
[M+Na-2H]-	564.26507	220.0
[M]+	543.28985	225.4
[M]-	543.29095	225.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

544.29768

225.6

[M+Na]+

566.27962

218.1

[M-H]-

542.28312

230.1

[M+NH4]+

561.32422

226.2

[M+K]+

582.25356

224.3

[M+H-H2O]+

526.28766

214.6

[M+HCOO]-

588.28860

237.9

[M+CH3COO]-

602.30425

258.1

[M+Na-2H]-

564.26507

220.0

[M]+

543.28985

225.4

[M]-

543.29095

225.4

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

69857-73-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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