PubChemLite - Tsn-084 (C32H26F2N6O4)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F

InChI

InChI=1S/C32H26F2N6O4/c1-18(2)43-30-11-9-24(32(42)40(30)23-7-4-21(33)5-8-23)31(41)38-22-6-10-28(26(34)13-22)44-29-12-19-17-37-39(3)27(19)14-25(29)20-15-35-36-16-20/h4-18H,1-3H3,(H,35,36)(H,38,41)

InChIKey

XSDZOIYDMHIIAQ-UHFFFAOYSA-N

Compound name

N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxo-6-propan-2-yloxypyridine-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]+	597.20564	239.4
[M+Na]+	619.18758	248.0
[M-H]-	595.19108	248.8
[M+NH4]+	614.23218	238.3
[M+K]+	635.16152	239.4
[M+H-H2O]+	579.19562	224.5
[M+HCOO]-	641.19656	252.7
[M+CH3COO]-	655.21221	244.6
[M+Na-2H]-	617.17303	234.1
[M]+	596.19781	242.8
[M]-	596.19891	242.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

597.20564

239.4

[M+Na]+

619.18758

248.0

[M-H]-

595.19108

248.8

[M+NH4]+

614.23218

238.3

[M+K]+

635.16152

239.4

[M+H-H2O]+

579.19562

224.5

[M+HCOO]-

641.19656

252.7

[M+CH3COO]-

655.21221

244.6

[M+Na-2H]-

617.17303

234.1

[M]+

596.19781

242.8

[M]-

596.19891

242.8

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

Tsn-084

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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