PubChemLite - Da-7867 (C19H18FN7O3)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN=C(C=C3)C4=NN=NN4C)F

InChI

InChI=1S/C19H18FN7O3/c1-11(28)21-9-14-10-27(19(29)30-14)13-4-5-15(16(20)7-13)12-3-6-17(22-8-12)18-23-24-25-26(18)2/h3-8,14H,9-10H2,1-2H3,(H,21,28)/t14-/m0/s1

InChIKey

XLLXHGCGAQJLLK-AWEZNQCLSA-N

Compound name

N-[[(5S)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

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]+	412.15278	196.5
[M+Na]+	434.13472	205.5
[M-H]-	410.13822	202.7
[M+NH4]+	429.17932	200.4
[M+K]+	450.10866	200.2
[M+H-H2O]+	394.14276	183.5
[M+HCOO]-	456.14370	211.1
[M+CH3COO]-	470.15935	204.6
[M+Na-2H]-	432.12017	193.2
[M]+	411.14495	197.4
[M]-	411.14605	197.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

412.15278

196.5

[M+Na]+

434.13472

205.5

[M-H]-

410.13822

202.7

[M+NH4]+

429.17932

200.4

[M+K]+

450.10866

200.2

[M+H-H2O]+

394.14276

183.5

[M+HCOO]-

456.14370

211.1

[M+CH3COO]-

470.15935

204.6

[M+Na-2H]-

432.12017

193.2

[M]+

411.14495

197.4

[M]-

411.14605

197.4

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

Da-7867

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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