PubChemLite - Nomcort hk-g (C70H134O10)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C70H134O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-49-53-57-67(73)77-61-65(71)63-79-69(75)59-55-51-47-43-39-35-31-27-28-32-36-40-44-48-52-56-60-70(76)80-64-66(72)62-78-68(74)58-54-50-46-42-38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h65-66,71-72H,3-64H2,1-2H3

InChIKey

RMBRKBNVOHGEJY-UHFFFAOYSA-N

Compound name

bis(3-docosanoyloxy-2-hydroxypropyl) icosanedioate

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]+	1136.0050	368.0
[M+Na]+	1157.9869	366.3
[M-H]-	1133.9904	350.3
[M+NH4]+	1153.0315	377.0
[M+K]+	1173.9609	381.7
[M+H-H2O]+	1117.9950	366.7
[M+HCOO]-	1179.9959	350.0
[M+CH3COO]-	1194.0116	348.2
[M+Na-2H]-	1155.9724	339.6
[M]+	1134.9972	373.9
[M]-	1134.9982	373.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1136.0050

368.0

[M+Na]+

1157.9869

366.3

[M-H]-

1133.9904

350.3

[M+NH4]+

1153.0315

377.0

[M+K]+

1173.9609

381.7

[M+H-H2O]+

1117.9950

366.7

[M+HCOO]-

1179.9959

350.0

[M+CH3COO]-

1194.0116

348.2

[M+Na-2H]-

1155.9724

339.6

[M]+

1134.9972

373.9

[M]-

1134.9982

373.9

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

Nomcort hk-g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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