PubChemLite - 769157-19-9 (C29H25N3O6)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C29H25N3O6/c1-3-37-22-14-11-20(12-15-22)29(35)38-26-16-13-19-7-4-5-10-24(19)25(26)18-30-32-28(34)27(33)31-21-8-6-9-23(17-21)36-2/h4-18H,3H2,1-2H3,(H,31,33)(H,32,34)/b30-18+

InChIKey

NPPVVFRHJNBJJE-UXHLAJHPSA-N

Compound name

[1-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate

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]+	512.18163	221.9
[M+Na]+	534.16357	224.6
[M-H]-	510.16707	232.6
[M+NH4]+	529.20817	227.4
[M+K]+	550.13751	222.0
[M+H-H2O]+	494.17161	209.2
[M+HCOO]-	556.17255	244.8
[M+CH3COO]-	570.18820	252.0
[M+Na-2H]-	532.14902	224.0
[M]+	511.17380	226.3
[M]-	511.17490	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.18163

221.9

[M+Na]+

534.16357

224.6

[M-H]-

510.16707

232.6

[M+NH4]+

529.20817

227.4

[M+K]+

550.13751

222.0

[M+H-H2O]+

494.17161

209.2

[M+HCOO]-

556.17255

244.8

[M+CH3COO]-

570.18820

252.0

[M+Na-2H]-

532.14902

224.0

[M]+

511.17380

226.3

[M]-

511.17490

226.3

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

769157-19-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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