PubChemLite - Nsc680313 (C27H26N2O4)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C27H26N2O4/c1-32-24-10-8-18-14-22(6-4-20(18)16-24)26(30)28-12-3-13-29-27(31)23-7-5-21-17-25(33-2)11-9-19(21)15-23/h4-11,14-17H,3,12-13H2,1-2H3,(H,28,30)(H,29,31)

InChIKey

KBKKDVJPBSYMDW-UHFFFAOYSA-N

Compound name

6-methoxy-N-[3-[(6-methoxynaphthalene-2-carbonyl)amino]propyl]naphthalene-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]+	443.19655	207.2
[M+Na]+	465.17849	212.5
[M-H]-	441.18199	214.9
[M+NH4]+	460.22309	217.1
[M+K]+	481.15243	207.6
[M+H-H2O]+	425.18653	196.2
[M+HCOO]-	487.18747	228.4
[M+CH3COO]-	501.20312	238.0
[M+Na-2H]-	463.16394	211.4
[M]+	442.18872	212.1
[M]-	442.18982	212.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.19655

207.2

[M+Na]+

465.17849

212.5

[M-H]-

441.18199

214.9

[M+NH4]+

460.22309

217.1

[M+K]+

481.15243

207.6

[M+H-H2O]+

425.18653

196.2

[M+HCOO]-

487.18747

228.4

[M+CH3COO]-

501.20312

238.0

[M+Na-2H]-

463.16394

211.4

[M]+

442.18872

212.1

[M]-

442.18982

212.1

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

Nsc680313

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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