PubChemLite - 386761-71-3 (C36H56N2O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC(C)(C)C(C)(C)N=CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C36H56N2O2/c1-31(2,3)25-17-23(29(39)27(19-25)33(7,8)9)21-37-35(13,14)36(15,16)38-22-24-18-26(32(4,5)6)20-28(30(24)40)34(10,11)12/h17-22,39-40H,1-16H3

InChIKey

ZTDNTQMYPZYXNP-UHFFFAOYSA-N

Compound name

2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol

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]+	549.44148	234.0
[M+Na]+	571.42342	237.3
[M-H]-	547.42692	240.2
[M+NH4]+	566.46802	240.2
[M+K]+	587.39736	234.5
[M+H-H2O]+	531.43146	227.1
[M+HCOO]-	593.43240	244.0
[M+CH3COO]-	607.44805	265.2
[M+Na-2H]-	569.40887	236.7
[M]+	548.43365	239.3
[M]-	548.43475	239.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

549.44148

234.0

[M+Na]+

571.42342

237.3

[M-H]-

547.42692

240.2

[M+NH4]+

566.46802

240.2

[M+K]+

587.39736

234.5

[M+H-H2O]+

531.43146

227.1

[M+HCOO]-

593.43240

244.0

[M+CH3COO]-

607.44805

265.2

[M+Na-2H]-

569.40887

236.7

[M]+

548.43365

239.3

[M]-

548.43475

239.3

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

386761-71-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe