CID 15598716

111451-23-1

Structural Information

Molecular Formula
C18H15NO5
SMILES
CCOC(=O)ON=C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H15NO5/c1-2-23-18(22)24-19-15(16(20)13-9-5-3-6-10-13)17(21)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
VSWVIYVQOVAETC-UHFFFAOYSA-N
Compound name
[(1,3-dioxo-1,3-diphenylpropan-2-ylidene)amino] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

325.09503 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 174.2
[M+Na]+ 348.08425 178.2
[M-H]- 324.08775 181.5
[M+NH4]+ 343.12885 187.3
[M+K]+ 364.05819 177.1
[M+H-H2O]+ 308.09229 165.1
[M+HCOO]- 370.09323 197.5
[M+CH3COO]- 384.10888 210.0
[M+Na-2H]- 346.06970 176.3
[M]+ 325.09448 177.3
[M]- 325.09558 177.3
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