CID 505854

2-methoxyethoxymethyl[?]dione

Structural Information

Molecular Formula
C18H15N3O4
SMILES
COCCOCC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=NC=C4)C2=O
InChI
InChI=1S/C18H15N3O4/c1-24-6-7-25-10-11-2-3-15-12(8-11)16(22)17-20-14-4-5-19-9-13(14)18(23)21(15)17/h2-5,8-9H,6-7,10H2,1H3
InChIKey
JJIODLVTLFQINY-UHFFFAOYSA-N
Compound name
14-(2-methoxyethoxymethyl)-2,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10626 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 177.6
[M+Na]+ 360.09548 189.2
[M-H]- 336.09898 180.8
[M+NH4]+ 355.14008 192.2
[M+K]+ 376.06942 183.9
[M+H-H2O]+ 320.10352 168.0
[M+HCOO]- 382.10446 195.9
[M+CH3COO]- 396.12011 188.7
[M+Na-2H]- 358.08093 183.4
[M]+ 337.10571 185.0
[M]- 337.10681 185.0
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.