PubChemLite - 9x7dk7o9wa (C25H24N8O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCC(=O)NCCCNC(=O)CNC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H24N8O4/c34-22(14-30-24(36)20-12-28-16-6-1-3-8-18(16)32-20)26-10-5-11-27-23(35)15-31-25(37)21-13-29-17-7-2-4-9-19(17)33-21/h1-4,6-9,12-13H,5,10-11,14-15H2,(H,26,34)(H,27,35)(H,30,36)(H,31,37)

InChIKey

NPFCKCTWUHFXIG-UHFFFAOYSA-N

Compound name

N-[2-oxo-2-[3-[[2-(quinoxaline-2-carbonylamino)acetyl]amino]propylamino]ethyl]quinoxaline-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]+	501.19933	209.9
[M+Na]+	523.18127	212.3
[M-H]-	499.18477	212.5
[M+NH4]+	518.22587	210.6
[M+K]+	539.15521	207.4
[M+H-H2O]+	483.18931	196.9
[M+HCOO]-	545.19025	227.3
[M+CH3COO]-	559.20590	250.2
[M+Na-2H]-	521.16672	218.9
[M]+	500.19150	211.6
[M]-	500.19260	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.19933

209.9

[M+Na]+

523.18127

212.3

[M-H]-

499.18477

212.5

[M+NH4]+

518.22587

210.6

[M+K]+

539.15521

207.4

[M+H-H2O]+

483.18931

196.9

[M+HCOO]-

545.19025

227.3

[M+CH3COO]-

559.20590

250.2

[M+Na-2H]-

521.16672

218.9

[M]+

500.19150

211.6

[M]-

500.19260

211.6

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

9x7dk7o9wa

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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