CID 71419055

823780-53-6

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₅

SMILES

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C23H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-20(26)24-19-14-12-18(13-15-19)23(29)30-25-21(27)16-17-22(25)28/h12-15H,2-11,16-17H2,1H3,(H,24,26)

InChIKey

VSKVTIWLWZUAHN-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 4-(dodecanoylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 416.2311 Da
Monoisotopic Mass: 5.2
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]+	417.238376	202.9
[M+Na]+	439.220318	205.2
[M-H]-	415.223824	206.7
[M+NH4]+	434.264923	212.9
[M+K]+	455.194258	201.5
[M+H-H2O]+	399.228360	193.5
[M+HCOO]-	461.229301	221.6
[M+CH3COO]-	475.244951	228.1
[M+Na-2H]-	437.205766	198.4
[M]+	416.23055142	206.9
[M]-	416.23164858	206.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.