PubChemLite - Chloramphenicol palmitate (C27H42Cl2N2O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1

InChIKey

PXKHGMGELZGJQE-ILBGXUMGSA-N

Compound name

[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate

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]+	561.24928	229.6
[M+Na]+	583.23122	239.6
[M-H]-	559.23472	230.5
[M+NH4]+	578.27582	238.0
[M+K]+	599.20516	237.3
[M+H-H2O]+	543.23926	236.1
[M+HCOO]-	605.24020	233.4
[M+CH3COO]-	619.25585	244.6
[M+Na-2H]-	581.21667	220.5
[M]+	560.24145	227.7
[M]-	560.24255	227.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

561.24928

229.6

[M+Na]+

583.23122

239.6

[M-H]-

559.23472

230.5

[M+NH4]+

578.27582

238.0

[M+K]+

599.20516

237.3

[M+H-H2O]+

543.23926

236.1

[M+HCOO]-

605.24020

233.4

[M+CH3COO]-

619.25585

244.6

[M+Na-2H]-

581.21667

220.5

[M]+

560.24145

227.7

[M]-

560.24255

227.7

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

Chloramphenicol palmitate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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