PubChemLite - Gsk-1521498 (C24H20F2N4)

Structural Information

Molecular Formula

SMILES

C1C(CC2=CC=CC=C21)NCC3=C(C=C(C=C3F)C4=CC(=CC=C4)C5=NC=NN5)F

InChI

InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)

InChIKey

WIEDUMBCZQRGSY-UHFFFAOYSA-N

Compound name

N-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

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]+	403.17288	196.8
[M+Na]+	425.15482	210.3
[M+NH4]+	420.19942	203.4
[M+K]+	441.12876	204.7
[M-H]-	401.15832	201.4
[M+Na-2H]-	423.14027	205.1
[M]+	402.16505	199.9
[M]-	402.16615	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.17288

196.8

[M+Na]+

425.15482

210.3

[M+NH4]+

420.19942

203.4

[M+K]+

441.12876

204.7

[M-H]-

401.15832

201.4

[M+Na-2H]-

423.14027

205.1

[M]+

402.16505

199.9

[M]-

402.16615

199.9

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

Gsk-1521498

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe