PubChemLite - 65256-52-2 (C23H38N2O8)

Structural Information

Molecular Formula

SMILES

CC(C(C)(C)OC(=O)C(=C)C)OC(=O)NCCCCCCNC(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C23H38N2O8/c1-16(2)19(26)30-14-15-31-21(28)24-12-10-8-9-11-13-25-22(29)32-18(5)23(6,7)33-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)

InChIKey

QNSDLTNTBQXZLZ-UHFFFAOYSA-N

Compound name

2-[6-[[3-methyl-3-(2-methylprop-2-enoyloxy)butan-2-yl]oxycarbonylamino]hexylcarbamoyloxy]ethyl 2-methylprop-2-enoate

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]+	471.27010	217.4
[M+Na]+	493.25204	229.6
[M-H]-	469.25554	226.4
[M+NH4]+	488.29664	231.4
[M+K]+	509.22598	225.4
[M+H-H2O]+	453.26008	219.3
[M+HCOO]-	515.26102	216.8
[M+CH3COO]-	529.27667	241.2
[M+Na-2H]-	491.23749	210.4
[M]+	470.26227	215.9
[M]-	470.26337	215.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.27010

217.4

[M+Na]+

493.25204

229.6

[M-H]-

469.25554

226.4

[M+NH4]+

488.29664

231.4

[M+K]+

509.22598

225.4

[M+H-H2O]+

453.26008

219.3

[M+HCOO]-

515.26102

216.8

[M+CH3COO]-

529.27667

241.2

[M+Na-2H]-

491.23749

210.4

[M]+

470.26227

215.9

[M]-

470.26337

215.9

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

65256-52-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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