PubChemLite - Hy-10306 (C21H29N5O6)

Structural Information

Molecular Formula

SMILES

CCOC(=O)CN1CCN(CC1)C[C@@H]2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)NC(=O)OC

InChI

InChI=1S/C21H29N5O6/c1-3-31-18(27)14-25-10-8-24(9-11-25)12-17-13-26(21(29)32-17)16-6-4-15(5-7-16)19(22)23-20(28)30-2/h4-7,17H,3,8-14H2,1-2H3,(H2,22,23,28)/t17-/m1/s1

InChIKey

YNBHAPKHWDNTMZ-QGZVFWFLSA-N

Compound name

ethyl 2-[4-[[(5R)-3-[4-(N-methoxycarbonylcarbamimidoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate

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]+	448.21908	206.0
[M+Na]+	470.20102	206.9
[M-H]-	446.20452	211.3
[M+NH4]+	465.24562	209.7
[M+K]+	486.17496	205.8
[M+H-H2O]+	430.20906	194.9
[M+HCOO]-	492.21000	218.9
[M+CH3COO]-	506.22565	234.3
[M+Na-2H]-	468.18647	201.9
[M]+	447.21125	204.5
[M]-	447.21235	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.21908

206.0

[M+Na]+

470.20102

206.9

[M-H]-

446.20452

211.3

[M+NH4]+

465.24562

209.7

[M+K]+

486.17496

205.8

[M+H-H2O]+

430.20906

194.9

[M+HCOO]-

492.21000

218.9

[M+CH3COO]-

506.22565

234.3

[M+Na-2H]-

468.18647

201.9

[M]+

447.21125

204.5

[M]-

447.21235

204.5

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

Hy-10306

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe