Bms-986482 (C21H19FN4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC(=C1C)N)C2=CC(=C(C=C2)C3=CN(C(=O)O3)C4CCC(=O)NC4=O)F

InChI

InChI=1S/C21H19FN4O4/c1-10-7-15(24-19(23)11(10)2)12-3-4-13(14(22)8-12)17-9-26(21(29)30-17)16-5-6-18(27)25-20(16)28/h3-4,7-9,16H,5-6H2,1-2H3,(H2,23,24)(H,25,27,28)

InChIKey

PKEKMIKJWMHBLO-UHFFFAOYSA-N

Compound name

3-[5-[4-(6-amino-4,5-dimethyl-2-pyridinyl)-2-fluorophenyl]-2-oxo-1,3-oxazol-3-yl]piperidine-2,6-dione

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]+	411.146316	200.9
[M+Na]+	433.128258	211.0
[M-H]-	409.131764	209.1
[M+NH4]+	428.172863	206.7
[M+K]+	449.102198	204.6
[M+H-H2O]+	393.136300	189.1
[M+HCOO]-	455.137241	215.7
[M+CH3COO]-	469.152891	209.6
[M+Na-2H]-	431.113706	196.4
[M]+	410.13849142	198.6
[M]-	410.13958858	198.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.146316

200.9

[M+Na]+

433.128258

211.0

[M-H]-

409.131764

209.1

[M+NH4]+

428.172863

206.7

[M+K]+

449.102198

204.6

[M+H-H2O]+

393.136300

189.1

[M+HCOO]-

455.137241

215.7

[M+CH3COO]-

469.152891

209.6

[M+Na-2H]-

431.113706

196.4

[M]+

410.13849142

198.6

[M]-

410.13958858

198.6

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

Bms-986482

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe