Oximonam (C12H15N5O6S)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H](C(=O)N1OCC(=O)O)NC(=O)/C(=N\OC)/C2=CSC(=N2)N

InChI

InChI=1S/C12H15N5O6S/c1-5-8(11(21)17(5)23-3-7(18)19)15-10(20)9(16-22-2)6-4-24-12(13)14-6/h4-5,8H,3H2,1-2H3,(H2,13,14)(H,15,20)(H,18,19)/b16-9-/t5-,8-/m0/s1

InChIKey

FJKOYBHMMTVFHK-TWYJFGHKSA-N

Compound name

2-[(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid

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]+	358.081576	181.1
[M+Na]+	380.063518	182.3
[M-H]-	356.067024	184.0
[M+NH4]+	375.108123	184.5
[M+K]+	396.037458	185.1
[M+H-H2O]+	340.071560	165.0
[M+HCOO]-	402.072501	195.6
[M+CH3COO]-	416.088151	220.6
[M+Na-2H]-	378.048966	176.6
[M]+	357.07375142	192.3
[M]-	357.07484858	192.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.081576

181.1

[M+Na]+

380.063518

182.3

[M-H]-

356.067024

184.0

[M+NH4]+

375.108123

184.5

[M+K]+

396.037458

185.1

[M+H-H2O]+

340.071560

165.0

[M+HCOO]-

402.072501

195.6

[M+CH3COO]-

416.088151

220.6

[M+Na-2H]-

378.048966

176.6

[M]+

357.07375142

192.3

[M]-

357.07484858

192.3

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

Oximonam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe