PubChemLite - Selinexor (C17H11F6N7O)

Structural Information

Molecular Formula

SMILES

C1=CN=C(C=N1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-

InChIKey

DEVSOMFAQLZNKR-RJRFIUFISA-N

Compound name

(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide

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]+	444.10021	181.5
[M+Na]+	466.08215	185.5
[M+NH4]+	461.12675	180.7
[M+K]+	482.05609	184.7
[M-H]-	442.08565	175.5
[M+Na-2H]-	464.06760	184.1
[M]+	443.09238	179.6
[M]-	443.09348	179.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.10021

181.5

[M+Na]+

466.08215

185.5

[M+NH4]+

461.12675

180.7

[M+K]+

482.05609

184.7

[M-H]-

442.08565

175.5

[M+Na-2H]-

464.06760

184.1

[M]+

443.09238

179.6

[M]-

443.09348

179.6

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

Selinexor

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe