1483-a hydrochloride (C18H30N8O7)

Structural Information

Molecular Formula

SMILES

CN(C1C(C(C(OC1NC2=NC3C(N2)C(CNC3=O)O)CO)CC(=O)N)O)C(=O)CN=CN

InChI

InChI=1S/C18H30N8O7/c1-26(11(30)4-21-6-19)14-15(31)7(2-10(20)29)9(5-27)33-17(14)25-18-23-12-8(28)3-22-16(32)13(12)24-18/h6-9,12-15,17,27-28,31H,2-5H2,1H3,(H2,19,21)(H2,20,29)(H,22,32)(H2,23,24,25)

InChIKey

ZCHGSPHDUSXWNN-UHFFFAOYSA-N

Compound name

2-[5-[[2-(aminomethylideneamino)acetyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl]acetamide

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]+	471.231026	211.3
[M+Na]+	493.212968	210.2
[M-H]-	469.216474	201.6
[M+NH4]+	488.257573	210.0
[M+K]+	509.186908	213.0
[M+H-H2O]+	453.221010	195.5
[M+HCOO]-	515.221951	212.1
[M+CH3COO]-	529.237601	247.1
[M+Na-2H]-	491.198416	229.8
[M]+	470.22320142	222.7
[M]-	470.22429858	222.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.231026

211.3

[M+Na]+

493.212968

210.2

[M-H]-

469.216474

201.6

[M+NH4]+

488.257573

210.0

[M+K]+

509.186908

213.0

[M+H-H2O]+

453.221010

195.5

[M+HCOO]-

515.221951

212.1

[M+CH3COO]-

529.237601

247.1

[M+Na-2H]-

491.198416

229.8

[M]+

470.22320142

222.7

[M]-

470.22429858

222.7

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

1483-a hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe