CID 5277391

Carbamic acid, [5-amino-3-[1-(4-methoxyphenyl)ethyl]-2-methylpyrido[3,4-b]pyrazin-7-yl]-, ethyl ester

Structural Information

Molecular Formula
C20H23N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=C(C(=N2)C(C)C3=CC=C(C=C3)OC)C)N
InChI
InChI=1S/C20H23N5O3/c1-5-28-20(26)24-16-10-15-18(19(21)23-16)25-17(12(3)22-15)11(2)13-6-8-14(27-4)9-7-13/h6-11H,5H2,1-4H3,(H3,21,23,24,26)
InChIKey
BJSJHNBGQIKCGO-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-[1-(4-methoxyphenyl)ethyl]-2-methylpyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18008 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 194.5
[M+Na]+ 404.16930 202.0
[M-H]- 380.17280 198.2
[M+NH4]+ 399.21390 202.6
[M+K]+ 420.14324 197.6
[M+H-H2O]+ 364.17734 183.5
[M+HCOO]- 426.17828 212.6
[M+CH3COO]- 440.19393 227.3
[M+Na-2H]- 402.15475 197.1
[M]+ 381.17953 197.6
[M]- 381.18063 197.6
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.