CID 100691

82585-93-1

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=C(C=C(C=C3)C)C)N
InChI
InChI=1S/C18H21N5O2/c1-4-25-18(24)23-15-8-13-16(17(19)22-15)21-14(9-20-13)12-6-5-10(2)7-11(12)3/h5-8,20H,4,9H2,1-3H3,(H3,19,22,23,24)
InChIKey
NTKLGSCBWUFSAC-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(2,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

339.16953 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.176806 184.1
[M+Na]+ 362.158748 191.8
[M-H]- 338.162254 186.4
[M+NH4]+ 357.203353 193.5
[M+K]+ 378.132688 185.8
[M+H-H2O]+ 322.166790 173.9
[M+HCOO]- 384.167731 200.9
[M+CH3COO]- 398.183381 216.5
[M+Na-2H]- 360.144196 187.3
[M]+ 339.16898142 182.7
[M]- 339.17007858 182.7
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

No patent data available for this compound.