PubChemLite - 370586-42-8 (C20H19N5O4)

Structural Information

Molecular Formula

SMILES

COCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CO3)C(=O)N4C=CC=CC4=N2

InChI

InChI=1S/C20H19N5O4/c1-28-10-8-25-17(21)14(19(26)22-12-13-5-4-9-29-13)11-15-18(25)23-16-6-2-3-7-24(16)20(15)27/h2-7,9,11,21H,8,10,12H2,1H3,(H,22,26)

InChIKey

QLONHPGZNDYKPF-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-6-imino-7-(2-methoxyethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-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]+	394.15098	191.8
[M+Na]+	416.13292	206.1
[M+NH4]+	411.17752	196.7
[M+K]+	432.10686	201.6
[M-H]-	392.13642	196.1
[M+Na-2H]-	414.11837	197.3
[M]+	393.14315	194.8
[M]-	393.14425	194.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.15098

191.8

[M+Na]+

416.13292

206.1

[M+NH4]+

411.17752

196.7

[M+K]+

432.10686

201.6

[M-H]-

392.13642

196.1

[M+Na-2H]-

414.11837

197.3

[M]+

393.14315

194.8

[M]-

393.14425

194.8

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

370586-42-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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