PubChemLite - Mk-8876 (C32H24F2N4O5S)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=NC4=C(C=C3)OCN5C4=CC6=C5C=CC=C6F)N(C)S(=O)(=O)C)C7=CC=C(C=C7)F

InChI

InChI=1S/C32H24F2N4O5S/c1-35-32(39)29-21-13-20(25(37(2)44(3,40)41)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-27-30(36-23)26-14-19-22(34)5-4-6-24(19)38(26)16-42-27/h4-15H,16H2,1-3H3,(H,35,39)

InChIKey

GOHCXBUFLQKEIO-UHFFFAOYSA-N

Compound name

5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-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]+	615.15083	245.1
[M+Na]+	637.13277	256.1
[M-H]-	613.13627	257.8
[M+NH4]+	632.17737	249.9
[M+K]+	653.10671	253.2
[M+H-H2O]+	597.14081	235.3
[M+HCOO]-	659.14175	255.7
[M+CH3COO]-	673.15740	252.4
[M+Na-2H]-	635.11822	246.0
[M]+	614.14300	255.5
[M]-	614.14410	255.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

615.15083

245.1

[M+Na]+

637.13277

256.1

[M-H]-

613.13627

257.8

[M+NH4]+

632.17737

249.9

[M+K]+

653.10671

253.2

[M+H-H2O]+

597.14081

235.3

[M+HCOO]-

659.14175

255.7

[M+CH3COO]-

673.15740

252.4

[M+Na-2H]-

635.11822

246.0

[M]+

614.14300

255.5

[M]-

614.14410

255.5

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

Mk-8876

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe