CID 27654

16044-74-9

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₃

SMILES

C1CN1C(=O)C2=CC(=CC(=C2)C(=O)N3CC3)C(=O)N4CC4

InChI

InChI=1S/C15H15N3O3/c19-13(16-1-2-16)10-7-11(14(20)17-3-4-17)9-12(8-10)15(21)18-5-6-18/h7-9H,1-6H2

InChIKey

LSNKTNHLGDDMLJ-UHFFFAOYSA-N

Compound name

aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 285.11133 Da
Monoisotopic Mass: -0.4
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]+	286.118606	197.6
[M+Na]+	308.100548	201.0
[M-H]-	284.104054	203.4
[M+NH4]+	303.145153	193.7
[M+K]+	324.074488	198.3
[M+H-H2O]+	268.108590	191.1
[M+HCOO]-	330.109531	209.0
[M+CH3COO]-	344.125181	219.0
[M+Na-2H]-	306.085996	192.4
[M]+	285.11078142	200.4
[M]-	285.11187858	200.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe