CID 3067571

81743-94-4

Structural Information

Molecular Formula
C18H17NO3Se
SMILES
CCOC(=O)C(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C18H17NO3Se/c1-3-22-18(21)12(2)13-8-10-14(11-9-13)19-17(20)15-6-4-5-7-16(15)23-19/h4-12H,3H2,1-2H3
InChIKey
ZISXFLNTLWRHHF-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

375.03738 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.04466 183.9
[M+Na]+ 398.02660 192.5
[M-H]- 374.03010 190.4
[M+NH4]+ 393.07120 199.5
[M+K]+ 414.00054 187.9
[M+H-H2O]+ 358.03464 175.0
[M+HCOO]- 420.03558 205.4
[M+CH3COO]- 434.05123 208.2
[M+Na-2H]- 396.01205 184.8
[M]+ 375.03683 188.7
[M]- 375.03793 188.7
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