PubChemLite - Schembl5712126 (C26H27NO3)

Structural Information

Molecular Formula

SMILES

CC1(CCC(C2=C1C=CC(=C2)/C(=N\O)/C3=CC4=C(C=C3)C=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C26H27NO3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27-30)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,30H,11-12H2,1-4H3,(H,28,29)/b27-23-

InChIKey

RNZIUDLOJHVHLZ-VYIQYICTSA-N

Compound name

6-[(Z)-N-hydroxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylic acid

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]+	402.20638	198.3
[M+Na]+	424.18832	205.3
[M-H]-	400.19182	205.0
[M+NH4]+	419.23292	214.1
[M+K]+	440.16226	199.9
[M+H-H2O]+	384.19636	189.4
[M+HCOO]-	446.19730	213.1
[M+CH3COO]-	460.21295	227.6
[M+Na-2H]-	422.17377	200.6
[M]+	401.19855	197.7
[M]-	401.19965	197.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.20638

198.3

[M+Na]+

424.18832

205.3

[M-H]-

400.19182

205.0

[M+NH4]+

419.23292

214.1

[M+K]+

440.16226

199.9

[M+H-H2O]+

384.19636

189.4

[M+HCOO]-

446.19730

213.1

[M+CH3COO]-

460.21295

227.6

[M+Na-2H]-

422.17377

200.6

[M]+

401.19855

197.7

[M]-

401.19965

197.7

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

Schembl5712126

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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