PubChemLite - 23525-20-4 (C64H126N2O7)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO

InChI

InChI=1S/C64H126N2O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-62(68)71-59-55-65(54-58-67)52-53-66(56-60-72-63(69)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-61-73-64(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h67H,4-61H2,1-3H3

InChIKey

ZBVDHDQYDKHVEN-UHFFFAOYSA-N

Compound name

2-[2-[bis(2-octadecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl octadecanoate

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]+	1035.9638	360.1
[M+Na]+	1057.9457	364.6
[M-H]-	1033.9492	346.0
[M+NH4]+	1052.9903	369.8
[M+K]+	1073.9197	375.9
[M+H-H2O]+	1017.9538	359.5
[M+HCOO]-	1079.9547	346.9
[M+CH3COO]-	1093.9704	348.4
[M+Na-2H]-	1055.9312	334.6
[M]+	1034.9560	361.1
[M]-	1034.9570	361.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1035.9638

360.1

[M+Na]+

1057.9457

364.6

[M-H]-

1033.9492

346.0

[M+NH4]+

1052.9903

369.8

[M+K]+

1073.9197

375.9

[M+H-H2O]+

1017.9538

359.5

[M+HCOO]-

1079.9547

346.9

[M+CH3COO]-

1093.9704

348.4

[M+Na-2H]-

1055.9312

334.6

[M]+

1034.9560

361.1

[M]-

1034.9570

361.1

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

23525-20-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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