CID 287811

49618-59-9

Structural Information

Molecular Formula
C20H15NO4
SMILES
COC(=O)C1=C(C2=C(C=C3N2C1=CC=C3)C4=CC=CC=C4)C(=O)OC
InChI
InChI=1S/C20H15NO4/c1-24-19(22)16-15-10-6-9-13-11-14(12-7-4-3-5-8-12)18(21(13)15)17(16)20(23)25-2/h3-11H,1-2H3
InChIKey
OPNZIYFOXGAIDT-UHFFFAOYSA-N
Compound name
dimethyl 5-phenyl-11-azatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

333.1001 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.107376 177.6
[M+Na]+ 356.089318 187.8
[M-H]- 332.092824 185.9
[M+NH4]+ 351.133923 196.0
[M+K]+ 372.063258 184.1
[M+H-H2O]+ 316.097360 170.5
[M+HCOO]- 378.098301 200.2
[M+CH3COO]- 392.113951 190.3
[M+Na-2H]- 354.074766 179.1
[M]+ 333.09955142 186.1
[M]- 333.10064858 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.