PubChemLite - 925434-55-5 (C25H23N7OS)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1)CC2=CSC3=NC(=CN23)C4=CC=CC=C4NC(=O)C5=NC6=CC=CC=C6N=C5

InChI

InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)

InChIKey

IASPBORHOMBZMY-UHFFFAOYSA-N

Compound name

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]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]+	470.17578	203.3
[M+Na]+	492.15772	212.1
[M-H]-	468.16122	210.2
[M+NH4]+	487.20232	208.1
[M+K]+	508.13166	202.7
[M+H-H2O]+	452.16576	192.5
[M+HCOO]-	514.16670	213.0
[M+CH3COO]-	528.18235	210.1
[M+Na-2H]-	490.14317	203.8
[M]+	469.16795	203.9
[M]-	469.16905	203.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.17578

203.3

[M+Na]+

492.15772

212.1

[M-H]-

468.16122

210.2

[M+NH4]+

487.20232

208.1

[M+K]+

508.13166

202.7

[M+H-H2O]+

452.16576

192.5

[M+HCOO]-

514.16670

213.0

[M+CH3COO]-

528.18235

210.1

[M+Na-2H]-

490.14317

203.8

[M]+

469.16795

203.9

[M]-

469.16905

203.9

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

925434-55-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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