CID 71520717

Lmk-235

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₄

SMILES

CC1=CC(=CC(=C1)C(=O)NOCCCCCC(=O)NO)C

InChI

InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)

InChIKey

VRYZCEONIWEUAV-UHFFFAOYSA-N

Compound name

N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 22
References: 350
Patents: 294.15796 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

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]+	295.165236	169.8
[M+Na]+	317.147178	174.1
[M-H]-	293.150684	171.5
[M+NH4]+	312.191783	183.9
[M+K]+	333.121118	172.0
[M+H-H2O]+	277.155220	162.2
[M+HCOO]-	339.156161	192.1
[M+CH3COO]-	353.171811	206.3
[M+Na-2H]-	315.132626	171.1
[M]+	294.15741142	172.0
[M]-	294.15850858	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe