CID 5277372

Schembl4769113

Structural Information

Molecular Formula
C15H21N5O2
SMILES
CCCCC1=NC2=C(N=C(C=C2N=C1C)NC(=O)OCC)N
InChI
InChI=1S/C15H21N5O2/c1-4-6-7-10-9(3)17-11-8-12(20-15(21)22-5-2)19-14(16)13(11)18-10/h8H,4-7H2,1-3H3,(H3,16,19,20,21)
InChIKey
ARDJEIXXCGRDFZ-UHFFFAOYSA-N
Compound name
ethyl N-(5-amino-3-butyl-2-methylpyrido[3,4-b]pyrazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.16953 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17681 174.7
[M+Na]+ 326.15875 182.9
[M-H]- 302.16225 175.1
[M+NH4]+ 321.20335 186.6
[M+K]+ 342.13269 178.9
[M+H-H2O]+ 286.16679 165.3
[M+HCOO]- 348.16773 194.1
[M+CH3COO]- 362.18338 212.1
[M+Na-2H]- 324.14420 178.9
[M]+ 303.16898 177.6
[M]- 303.17008 177.6
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