PubChemLite - 1001908-89-9 (C27H24N4O2S)

Structural Information

Molecular Formula

SMILES

C1CN(C[C@@H]1O)CC2=CSC3=NC(=CN23)C4=CC=CC=C4NC(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1

InChIKey

MUFSINOSQBMSLE-JOCHJYFZSA-N

Compound name

N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-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]+	469.16928	207.5
[M+Na]+	491.15122	216.8
[M-H]-	467.15472	219.5
[M+NH4]+	486.19582	218.8
[M+K]+	507.12516	209.7
[M+H-H2O]+	451.15926	199.8
[M+HCOO]-	513.16020	223.0
[M+CH3COO]-	527.17585	216.7
[M+Na-2H]-	489.13667	204.4
[M]+	468.16145	212.0
[M]-	468.16255	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.16928

207.5

[M+Na]+

491.15122

216.8

[M-H]-

467.15472

219.5

[M+NH4]+

486.19582

218.8

[M+K]+

507.12516

209.7

[M+H-H2O]+

451.15926

199.8

[M+HCOO]-

513.16020

223.0

[M+CH3COO]-

527.17585

216.7

[M+Na-2H]-

489.13667

204.4

[M]+

468.16145

212.0

[M]-

468.16255

212.0

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

1001908-89-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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