CID 13302402

Brn 5633472

Structural Information

Molecular Formula
C17H14N2O5
SMILES
CCOC(=O)C1=CN=C2C3=C4C(=CN2C1=O)CCCC4=COC3=O
InChI
InChI=1S/C17H14N2O5/c1-2-23-16(21)11-6-18-14-13-12-9(7-19(14)15(11)20)4-3-5-10(12)8-24-17(13)22/h6-8H,2-5H2,1H3
InChIKey
VXLZLSCBRBFQMF-UHFFFAOYSA-N
Compound name
ethyl 6,16-dioxo-15-oxa-3,7-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,8,13-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.09027 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09755 171.0
[M+Na]+ 349.07949 187.4
[M+NH4]+ 344.12409 178.1
[M+K]+ 365.05343 180.7
[M-H]- 325.08299 173.7
[M+Na-2H]- 347.06494 175.0
[M]+ 326.08972 174.1
[M]- 326.09082 174.1
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.