PubChemLite - 860036-27-7 (C42H50N2O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC(=C2)C)C)C(=O)N(C3CCCCC3N(C(=O)C(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)O)O)C

InChI

InChI=1S/C42H50N2O4/c1-25-13-26(2)18-33(17-25)39(34-19-27(3)14-28(4)20-34)41(45)43(47)37-11-9-10-12-38(37)44(48)42(46)40(35-21-29(5)15-30(6)22-35)36-23-31(7)16-32(8)24-36/h13-24,37-40,47-48H,9-12H2,1-8H3

InChIKey

UXJIDQVUTGVBNI-UHFFFAOYSA-N

Compound name

N-[2-[[2,2-bis(3,5-dimethylphenyl)acetyl]-hydroxyamino]cyclohexyl]-2,2-bis(3,5-dimethylphenyl)-N-hydroxyacetamide

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]+	647.38438	264.7
[M+Na]+	669.36632	277.0
[M+NH4]+	664.41092	269.0
[M+K]+	685.34026	269.7
[M-H]-	645.36982	275.0
[M+Na-2H]-	667.35177	272.0
[M]+	646.37655	269.4
[M]-	646.37765	269.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

647.38438

264.7

[M+Na]+

669.36632

277.0

[M+NH4]+

664.41092

269.0

[M+K]+

685.34026

269.7

[M-H]-

645.36982

275.0

[M+Na-2H]-

667.35177

272.0

[M]+

646.37655

269.4

[M]-

646.37765

269.4

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

860036-27-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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