CID 2770967

371209-38-0

Structural Information

Molecular Formula
C17H18N4O4
SMILES
CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCOC
InChI
InChI=1S/C17H18N4O4/c1-3-25-17(23)11-10-12-15(21(14(11)18)8-9-24-2)19-13-6-4-5-7-20(13)16(12)22/h4-7,10,18H,3,8-9H2,1-2H3
InChIKey
UWJYPAGGEXMKSJ-UHFFFAOYSA-N
Compound name
ethyl 6-imino-7-(2-methoxyethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.1328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.140076 178.9
[M+Na]+ 365.122018 190.0
[M-H]- 341.125524 181.3
[M+NH4]+ 360.166623 190.4
[M+K]+ 381.095958 185.1
[M+H-H2O]+ 325.130060 168.8
[M+HCOO]- 387.131001 198.7
[M+CH3COO]- 401.146651 216.0
[M+Na-2H]- 363.107466 186.0
[M]+ 342.13225142 185.9
[M]- 342.13334858 185.9
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.