PubChemLite - Zd-7155 (C26H26N6O)

Structural Information

Molecular Formula

SMILES

CCC1=CC2=C(CCC(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=N1)CC

InChI

InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)

InChIKey

BFVNEYDCFJNLGN-UHFFFAOYSA-N

Compound name

5,7-diethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydro-1,6-naphthyridin-2-one

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]+	439.22408	212.1
[M+Na]+	461.20602	229.2
[M+NH4]+	456.25062	217.5
[M+K]+	477.17996	221.7
[M-H]-	437.20952	217.5
[M+Na-2H]-	459.19147	220.7
[M]+	438.21625	216.1
[M]-	438.21735	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.22408

212.1

[M+Na]+

461.20602

229.2

[M+NH4]+

456.25062

217.5

[M+K]+

477.17996

221.7

[M-H]-

437.20952

217.5

[M+Na-2H]-

459.19147

220.7

[M]+

438.21625

216.1

[M]-

438.21735

216.1

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

Zd-7155

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe