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

1
Patents

361.02173 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.02901 177.0
[M+Na]+ 384.01095 191.9
[M+NH4]+ 379.05555 184.6
[M+K]+ 399.98489 185.4
[M-H]- 360.01445 180.5
[M+Na-2H]- 381.99640 184.3
[M]+ 361.02118 180.2
[M]- 361.02228 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe