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

literature stripe

Patent stripe

patents stripe