PubChemLite - Tno155 (C18H24ClN7OS)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H](C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N

InChI

InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1

InChIKey

UCJZOKGUEJUNIO-IINYFYTJSA-N

Compound name

(3S,4S)-8-[6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-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]+	422.15245	194.5
[M+Na]+	444.13439	205.9
[M+NH4]+	439.17899	202.2
[M+K]+	460.10833	198.3
[M-H]-	420.13789	201.8
[M+Na-2H]-	442.11984	201.3
[M]+	421.14462	198.8
[M]-	421.14572	198.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.15245

194.5

[M+Na]+

444.13439

205.9

[M+NH4]+

439.17899

202.2

[M+K]+

460.10833

198.3

[M-H]-

420.13789

201.8

[M+Na-2H]-

442.11984

201.3

[M]+

421.14462

198.8

[M]-

421.14572

198.8

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

Tno155

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe