CID 5270480

Schembl13327644

Structural Information

Molecular Formula
C16H16N6O2
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)N)N=C(C(=N2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H16N6O2/c1-2-24-16(23)20-11-8-10(17)13-15(19-11)22-14(18)12(21-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H5,17,18,19,20,22,23)
InChIKey
OEOCBMGVAACDJP-UHFFFAOYSA-N
Compound name
ethyl N-(3,8-diamino-2-phenylpyrido[2,3-b]pyrazin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.13348 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.140756 175.9
[M+Na]+ 347.122698 184.1
[M-H]- 323.126204 179.5
[M+NH4]+ 342.167303 185.7
[M+K]+ 363.096638 178.9
[M+H-H2O]+ 307.130740 165.3
[M+HCOO]- 369.131681 196.7
[M+CH3COO]- 383.147331 185.5
[M+Na-2H]- 345.108146 182.2
[M]+ 324.13293142 175.0
[M]- 324.13402858 175.0
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

patents stripe