CID 3042270

Brn 5412189

Structural Information

Molecular Formula
C19H17N2O5
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)COC(=O)C[N+]3=CC(=O)ON3
InChI
InChI=1S/C19H16N2O5/c22-16(13-25-17(23)11-21-12-18(24)26-20-21)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12,19H,11,13H2/p+1
InChIKey
RHRIEXWLCJMYQS-UHFFFAOYSA-O
Compound name
(2-oxo-3,3-diphenylpropyl) 2-(5-oxo-2H-oxadiazol-3-ium-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.11374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12102 178.1
[M+Na]+ 376.10296 192.3
[M+NH4]+ 371.14756 183.7
[M+K]+ 392.07690 190.2
[M-H]- 352.10646 183.1
[M+Na-2H]- 374.08841 186.0
[M]+ 353.11319 181.6
[M]- 353.11429 181.6
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

No patent data available for this compound.