CID 150003

82586-00-3

Structural Information

Molecular Formula
C17H19N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C17H19N5O3/c1-3-25-17(23)22-14-8-12-15(16(18)21-14)20-13(9-19-12)10-4-6-11(24-2)7-5-10/h4-8,19H,3,9H2,1-2H3,(H3,18,21,22,23)
InChIKey
DNVPMVJYQWFBIK-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(4-methoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

341.1488 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15608 180.6
[M+Na]+ 364.13802 187.5
[M-H]- 340.14152 182.7
[M+NH4]+ 359.18262 189.5
[M+K]+ 380.11196 182.5
[M+H-H2O]+ 324.14606 170.1
[M+HCOO]- 386.14700 197.9
[M+CH3COO]- 400.16265 214.5
[M+Na-2H]- 362.12347 185.4
[M]+ 341.14825 179.8
[M]- 341.14935 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe