PubChemLite - Fhd-286 (C24H30N6O6S2)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CN(C[C@@H](O1)C)C2=CC=CC(=N2)C3=CSC(=N3)NC(=O)[C@H](COC)NC(=O)C4=CN(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H30N6O6S2/c1-15-10-29(11-16(2)36-15)21-7-5-6-18(25-21)20-14-37-24(27-20)28-23(32)19(13-35-3)26-22(31)17-8-9-30(12-17)38(4,33)34/h5-9,12,14-16,19H,10-11,13H2,1-4H3,(H,26,31)(H,27,28,32)/t15-,16+,19-/m0/s1

InChIKey

JBLQNFBXKOAIHG-FCEWJHQRSA-N

Compound name

N-[(2S)-1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-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]+	563.17408	227.3
[M+Na]+	585.15602	232.0
[M-H]-	561.15952	236.6
[M+NH4]+	580.20062	228.6
[M+K]+	601.12996	228.8
[M+H-H2O]+	545.16406	219.8
[M+HCOO]-	607.16500	233.7
[M+CH3COO]-	621.18065	249.9
[M+Na-2H]-	583.14147	224.0
[M]+	562.16625	233.3
[M]-	562.16735	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

563.17408

227.3

[M+Na]+

585.15602

232.0

[M-H]-

561.15952

236.6

[M+NH4]+

580.20062

228.6

[M+K]+

601.12996

228.8

[M+H-H2O]+

545.16406

219.8

[M+HCOO]-

607.16500

233.7

[M+CH3COO]-

621.18065

249.9

[M+Na-2H]-

583.14147

224.0

[M]+

562.16625

233.3

[M]-

562.16735

233.3

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

Fhd-286

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe