CID 3067573

81743-96-6

Structural Information

Molecular Formula

C₁₇H₁₅NO₃Se

SMILES

CCOC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

InChI

InChI=1S/C17H15NO3Se/c1-2-21-16(19)11-12-7-9-13(10-8-12)18-17(20)14-5-3-4-6-15(14)22-18/h3-10H,2,11H2,1H3

InChIKey

CAWNUDSMGPCJJA-UHFFFAOYSA-N

Compound name

ethyl 2-[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.02173 Da
Monoisotopic Mass: None
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]+	362.029006	179.2
[M+Na]+	384.010948	188.6
[M-H]-	360.014454	185.9
[M+NH4]+	379.055553	195.5
[M+K]+	399.984888	183.7
[M+H-H2O]+	344.018990	170.3
[M+HCOO]-	406.019931	202.1
[M+CH3COO]-	420.035581	204.4
[M+Na-2H]-	381.996396	181.8
[M]+	361.02118142	184.4
[M]-	361.02227858	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe