PubChemLite - Azd7268 (C29H30N4O2S)

Structural Information

Molecular Formula

SMILES

CN(CCO)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)CC3=CSC=N3)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3

InChIKey

ZJKUETLEJYCOBO-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide

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]+	499.21623	215.9
[M+Na]+	521.19817	229.4
[M+NH4]+	516.24277	222.4
[M+K]+	537.17211	221.0
[M-H]-	497.20167	223.1
[M+Na-2H]-	519.18362	225.3
[M]+	498.20840	220.3
[M]-	498.20950	220.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.21623

215.9

[M+Na]+

521.19817

229.4

[M+NH4]+

516.24277

222.4

[M+K]+

537.17211

221.0

[M-H]-

497.20167

223.1

[M+Na-2H]-

519.18362

225.3

[M]+

498.20840

220.3

[M]-

498.20950

220.3

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

Azd7268

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe