PubChemLite - Pf-07284892 (C21H22ClN7S)

Structural Information

Molecular Formula

SMILES

C1CN(CCC12CC3=CC=CC=C3[C@H]2N)C4=NC=C(N=N4)SC5=C(C(=NC=C5)N)Cl

InChI

InChI=1S/C21H22ClN7S/c22-17-15(5-8-25-19(17)24)30-16-12-26-20(28-27-16)29-9-6-21(7-10-29)11-13-3-1-2-4-14(13)18(21)23/h1-5,8,12,18H,6-7,9-11,23H2,(H2,24,25)/t18-/m1/s1

InChIKey

HZCJDRDHKWNUGN-GOSISDBHSA-N

Compound name

(1S)-1'-[6-(2-amino-3-chloropyridin-4-yl)sulfanyl-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-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]+	440.14186	197.4
[M+Na]+	462.12380	212.3
[M+NH4]+	457.16840	206.4
[M+K]+	478.09774	201.8
[M-H]-	438.12730	204.2
[M+Na-2H]-	460.10925	207.0
[M]+	439.13403	202.3
[M]-	439.13513	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.14186

197.4

[M+Na]+

462.12380

212.3

[M+NH4]+

457.16840

206.4

[M+K]+

478.09774

201.8

[M-H]-

438.12730

204.2

[M+Na-2H]-

460.10925

207.0

[M]+

439.13403

202.3

[M]-

439.13513

202.3

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

Pf-07284892

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe