CID 3151390

489462-77-3

Structural Information

Molecular Formula
C15H13N5O2
SMILES
COCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C15H13N5O2/c1-22-7-6-20-13(17)10(9-16)8-11-14(20)18-12-4-2-3-5-19(12)15(11)21/h2-5,8,17H,6-7H2,1H3
InChIKey
GHPKJCAYUWNXDF-UHFFFAOYSA-N
Compound name
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-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.10693 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11421 171.8
[M+Na]+ 318.09615 186.8
[M+NH4]+ 313.14075 175.0
[M+K]+ 334.07009 176.0
[M-H]- 294.09965 166.4
[M+Na-2H]- 316.08160 175.1
[M]+ 295.10638 171.6
[M]- 295.10748 171.6
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.