PubChemLite - 1-(2-(2-hydroxyethoxy)ethyl)-2-imino-10-methyl-5-oxo-n-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (C22H27N5O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOCCO)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H27N5O5/c1-14-4-2-6-27-19(14)25-20-17(22(27)30)12-16(18(23)26(20)7-10-31-11-8-28)21(29)24-13-15-5-3-9-32-15/h2,4,6,12,15,23,28H,3,5,7-11,13H2,1H3,(H,24,29)

InChIKey

QFDZSQLSNWZUBF-UHFFFAOYSA-N

Compound name

7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-N-(oxolan-2-ylmethyl)-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]+	442.20851	205.8
[M+Na]+	464.19045	217.1
[M+NH4]+	459.23505	209.3
[M+K]+	480.16439	213.7
[M-H]-	440.19395	208.7
[M+Na-2H]-	462.17590	207.8
[M]+	441.20068	207.8
[M]-	441.20178	207.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.20851

205.8

[M+Na]+

464.19045

217.1

[M+NH4]+

459.23505

209.3

[M+K]+

480.16439

213.7

[M-H]-

440.19395

208.7

[M+Na-2H]-

462.17590

207.8

[M]+

441.20068

207.8

[M]-

441.20178

207.8

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

1-(2-(2-hydroxyethoxy)ethyl)-2-imino-10-methyl-5-oxo-n-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe