CID 5277419

Schembl8137106

Structural Information

Molecular Formula
C17H17N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=C(C(=N2)C3=CC=C(C=C3)O)C)N
InChI
InChI=1S/C17H17N5O3/c1-3-25-17(24)21-13-8-12-15(16(18)20-13)22-14(9(2)19-12)10-4-6-11(23)7-5-10/h4-8,23H,3H2,1-2H3,(H3,18,20,21,24)
InChIKey
VWOYBMFVFZBHDI-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(4-hydroxyphenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

339.13315 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.140426 181.4
[M+Na]+ 362.122368 190.2
[M-H]- 338.125874 184.3
[M+NH4]+ 357.166973 190.6
[M+K]+ 378.096308 184.9
[M+H-H2O]+ 322.130410 171.1
[M+HCOO]- 384.131351 200.0
[M+CH3COO]- 398.147001 215.5
[M+Na-2H]- 360.107816 186.2
[M]+ 339.13260142 182.4
[M]- 339.13369858 182.4
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