PubChemLite - 960154-34-1 (C27H25N3O3)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C=C1)O)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C27H25N3O3/c1-27(2,3)18-13-14-23(31)22(16-18)29-30-24-20-12-8-7-9-17(20)15-21(25(24)32)26(33)28-19-10-5-4-6-11-19/h4-16,31-32H,1-3H3,(H,28,33)

InChIKey

YWFALRWTTIHRLV-UHFFFAOYSA-N

Compound name

4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

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]+	440.19688	207.7
[M+Na]+	462.17882	213.2
[M-H]-	438.18232	218.2
[M+NH4]+	457.22342	216.7
[M+K]+	478.15276	208.2
[M+H-H2O]+	422.18686	196.9
[M+HCOO]-	484.18780	229.5
[M+CH3COO]-	498.20345	240.0
[M+Na-2H]-	460.16427	212.4
[M]+	439.18905	208.5
[M]-	439.19015	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.19688

207.7

[M+Na]+

462.17882

213.2

[M-H]-

438.18232

218.2

[M+NH4]+

457.22342

216.7

[M+K]+

478.15276

208.2

[M+H-H2O]+

422.18686

196.9

[M+HCOO]-

484.18780

229.5

[M+CH3COO]-

498.20345

240.0

[M+Na-2H]-

460.16427

212.4

[M]+

439.18905

208.5

[M]-

439.19015

208.5

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

960154-34-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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