CID 239200

6329-10-8

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CCOC(=O)N1C2C3=CC=CC=C3C(N1C(=O)OCC)C4=CC=CC=C24
InChI
InChI=1S/C20H20N2O4/c1-3-25-19(23)21-17-13-9-5-7-11-15(13)18(22(21)20(24)26-4-2)16-12-8-6-10-14(16)17/h5-12,17-18H,3-4H2,1-2H3
InChIKey
VJHCBURXSKGWJA-UHFFFAOYSA-N
Compound name
diethyl 15,16-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.149576 181.9
[M+Na]+ 375.131518 186.5
[M-H]- 351.135024 181.1
[M+NH4]+ 370.176123 196.6
[M+K]+ 391.105458 183.4
[M+H-H2O]+ 335.139560 171.8
[M+HCOO]- 397.140501 190.5
[M+CH3COO]- 411.156151 189.7
[M+Na-2H]- 373.116966 188.6
[M]+ 352.14175142 187.9
[M]- 352.14284858 187.9
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.