PubChemLite - 69851-61-2 (C37H58N2O4)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCCNC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)

InChIKey

KJEKRODBOPOEGG-UHFFFAOYSA-N

Compound name

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propyl]propanamide

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]+	595.44692	251.0
[M+Na]+	617.42886	251.2
[M-H]-	593.43236	253.7
[M+NH4]+	612.47346	227.6
[M+K]+	633.40280	248.1
[M+H-H2O]+	577.43690	243.3
[M+HCOO]-	639.43784	259.3
[M+CH3COO]-	653.45349	268.9
[M+Na-2H]-	615.41431	247.4
[M]+	594.43909	255.8
[M]-	594.44019	255.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.44692

251.0

[M+Na]+

617.42886

251.2

[M-H]-

593.43236

253.7

[M+NH4]+

612.47346

227.6

[M+K]+

633.40280

248.1

[M+H-H2O]+

577.43690

243.3

[M+HCOO]-

639.43784

259.3

[M+CH3COO]-

653.45349

268.9

[M+Na-2H]-

615.41431

247.4

[M]+

594.43909

255.8

[M]-

594.44019

255.8

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

69851-61-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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