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 179.2
[M+Na]+ 384.01095 188.6
[M-H]- 360.01445 185.9
[M+NH4]+ 379.05555 195.5
[M+K]+ 399.98489 183.7
[M+H-H2O]+ 344.01899 170.3
[M+HCOO]- 406.01993 202.1
[M+CH3COO]- 420.03558 204.4
[M+Na-2H]- 381.99640 181.8
[M]+ 361.02118 184.4
[M]- 361.02228 184.4
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