PubChemLite - Pf-5190457 (C29H32N6OS)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC=N1)C2=CC3=C(C=C2)[C@@H](CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C

InChI

InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1

InChIKey

ZIUDADZJCKGWKR-AREMUKBSSA-N

Compound name

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

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]+	513.24312	217.5
[M+Na]+	535.22506	224.5
[M-H]-	511.22856	226.8
[M+NH4]+	530.26966	220.0
[M+K]+	551.19900	220.2
[M+H-H2O]+	495.23310	202.2
[M+HCOO]-	557.23404	223.0
[M+CH3COO]-	571.24969	223.3
[M+Na-2H]-	533.21051	208.4
[M]+	512.23529	226.9
[M]-	512.23639	226.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.24312

217.5

[M+Na]+

535.22506

224.5

[M-H]-

511.22856

226.8

[M+NH4]+

530.26966

220.0

[M+K]+

551.19900

220.2

[M+H-H2O]+

495.23310

202.2

[M+HCOO]-

557.23404

223.0

[M+CH3COO]-

571.24969

223.3

[M+Na-2H]-

533.21051

208.4

[M]+

512.23529

226.9

[M]-

512.23639

226.9

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

Pf-5190457

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe