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]+ 340.17681 184.1
[M+Na]+ 362.15875 191.8
[M-H]- 338.16225 186.4
[M+NH4]+ 357.20335 193.5
[M+K]+ 378.13269 185.8
[M+H-H2O]+ 322.16679 173.9
[M+HCOO]- 384.16773 200.9
[M+CH3COO]- 398.18338 216.5
[M+Na-2H]- 360.14420 187.3
[M]+ 339.16898 182.7
[M]- 339.17008 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.