CID 649167

510761-89-4

Structural Information

Molecular Formula
C15H14N4O3
SMILES
CCN1C2=C(C=C(C1=N)C(=O)OC)C(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C15H14N4O3/c1-3-18-12(16)9(15(21)22-2)8-10-13(18)17-11-6-4-5-7-19(11)14(10)20/h4-8,16H,3H2,1-2H3
InChIKey
PCLFWMZRUWFRBG-UHFFFAOYSA-N
Compound name
methyl 7-ethyl-6-imino-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

298.1066 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11388 166.4
[M+Na]+ 321.09582 182.2
[M+NH4]+ 316.14042 172.5
[M+K]+ 337.06976 175.5
[M-H]- 297.09932 167.8
[M+Na-2H]- 319.08127 172.4
[M]+ 298.10605 168.9
[M]- 298.10715 168.9
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.