CID 485173

135696-47-8

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CCC1C(=NC2=C(N=C(C=C2N1)NC(=O)OCC)N)C3=CC=CC=C3
InChI
InChI=1S/C18H21N5O2/c1-3-12-15(11-8-6-5-7-9-11)23-16-13(20-12)10-14(21-17(16)19)22-18(24)25-4-2/h5-10,12,20H,3-4H2,1-2H3,(H3,19,21,22,24)
InChIKey
PSTKHBSTRDODOT-UHFFFAOYSA-N
Compound name
ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

339.16953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 182.7
[M+Na]+ 362.15875 189.4
[M-H]- 338.16225 184.5
[M+NH4]+ 357.20335 191.7
[M+K]+ 378.13269 183.3
[M+H-H2O]+ 322.16679 172.2
[M+HCOO]- 384.16773 199.5
[M+CH3COO]- 398.18338 215.2
[M+Na-2H]- 360.14420 186.7
[M]+ 339.16898 180.8
[M]- 339.17008 180.8
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

No patent data available for this compound.