PubChemLite - Bms-929075 (C31H24F2N4O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)C(=O)NC2(CC2)C3=NC=CC=N3)C4=C(C5=C(C=C4)OC(=C5C(=O)NC)C6=CC=C(C=C6)F)F

InChI

InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)

InChIKey

LZAUGCMVNLZVJV-UHFFFAOYSA-N

Compound name

4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-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]+	539.18892	232.0
[M+Na]+	561.17086	247.4
[M+NH4]+	556.21546	238.3
[M+K]+	577.14480	240.4
[M-H]-	537.17436	245.9
[M+Na-2H]-	559.15631	243.3
[M]+	538.18109	239.3
[M]-	538.18219	239.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.18892

232.0

[M+Na]+

561.17086

247.4

[M+NH4]+

556.21546

238.3

[M+K]+

577.14480

240.4

[M-H]-

537.17436

245.9

[M+Na-2H]-

559.15631

243.3

[M]+

538.18109

239.3

[M]-

538.18219

239.3

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

Bms-929075

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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