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]+ 325.14076 175.9
[M+Na]+ 347.12270 184.1
[M-H]- 323.12620 179.5
[M+NH4]+ 342.16730 185.7
[M+K]+ 363.09664 178.9
[M+H-H2O]+ 307.13074 165.3
[M+HCOO]- 369.13168 196.7
[M+CH3COO]- 383.14733 185.5
[M+Na-2H]- 345.10815 182.2
[M]+ 324.13293 175.0
[M]- 324.13403 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