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]+ 340.14043 181.4
[M+Na]+ 362.12237 190.2
[M-H]- 338.12587 184.3
[M+NH4]+ 357.16697 190.6
[M+K]+ 378.09631 184.9
[M+H-H2O]+ 322.13041 171.1
[M+HCOO]- 384.13135 200.0
[M+CH3COO]- 398.14700 215.5
[M+Na-2H]- 360.10782 186.2
[M]+ 339.13260 182.4
[M]- 339.13370 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