PubChemLite - Minzasolmin (C23H31N5OS)

Structural Information

Molecular Formula

SMILES

CCCC[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN(CC4)C

InChI

InChI=1S/C23H31N5OS/c1-3-4-7-18(14-17-15-24-20-9-6-5-8-19(17)20)26-22(29)21-16-25-23(30-21)28-12-10-27(2)11-13-28/h5-6,8-9,15-16,18,24H,3-4,7,10-14H2,1-2H3,(H,26,29)/t18-/m1/s1

InChIKey

GDFWCSZNQVAQGR-GOSISDBHSA-N

Compound name

N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-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]+	426.23223	200.6
[M+Na]+	448.21417	210.6
[M+NH4]+	443.25877	206.6
[M+K]+	464.18811	205.7
[M-H]-	424.21767	203.9
[M+Na-2H]-	446.19962	205.3
[M]+	425.22440	203.1
[M]-	425.22550	203.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.23223

200.6

[M+Na]+

448.21417

210.6

[M+NH4]+

443.25877

206.6

[M+K]+

464.18811

205.7

[M-H]-

424.21767

203.9

[M+Na-2H]-

446.19962

205.3

[M]+

425.22440

203.1

[M]-

425.22550

203.1

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

Minzasolmin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe