PubChemLite - Bms-986176 (C19H23F4N3O)

Structural Information

Molecular Formula

SMILES

CC(C)C[C@@](C)(COC1=C(N=C(C=C1)C2=CC(=NC=C2)C(F)F)C(F)F)N

InChI

InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1

InChIKey

RKAHOQATMSONTM-IBGZPJMESA-N

Compound name

(2S)-1-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyridin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-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]+	386.18501	191.0
[M+Na]+	408.16695	197.0
[M-H]-	384.17045	189.0
[M+NH4]+	403.21155	199.2
[M+K]+	424.14089	191.9
[M+H-H2O]+	368.17499	177.9
[M+HCOO]-	430.17593	202.6
[M+CH3COO]-	444.19158	225.8
[M+Na-2H]-	406.15240	188.6
[M]+	385.17718	186.8
[M]-	385.17828	186.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.18501

191.0

[M+Na]+

408.16695

197.0

[M-H]-

384.17045

189.0

[M+NH4]+

403.21155

199.2

[M+K]+

424.14089

191.9

[M+H-H2O]+

368.17499

177.9

[M+HCOO]-

430.17593

202.6

[M+CH3COO]-

444.19158

225.8

[M+Na-2H]-

406.15240

188.6

[M]+

385.17718

186.8

[M]-

385.17828

186.8

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

Bms-986176

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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