CID 5277366

Benzyl n-(8-amino-3-methyl-2-phenyl-pyrido[2,3-b]pyrazin-6-yl)carbamate

Structural Information

Molecular Formula
C22H19N5O2
SMILES
CC1=C(N=C2C(=CC(=NC2=N1)NC(=O)OCC3=CC=CC=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C22H19N5O2/c1-14-19(16-10-6-3-7-11-16)27-20-17(23)12-18(25-21(20)24-14)26-22(28)29-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H3,23,24,25,26,28)
InChIKey
JCTPTYUONGEXCI-UHFFFAOYSA-N
Compound name
benzyl N-(8-amino-3-methyl-2-phenylpyrido[2,3-b]pyrazin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15387 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.161146 193.5
[M+Na]+ 408.143088 200.9
[M-H]- 384.146594 199.9
[M+NH4]+ 403.187693 200.5
[M+K]+ 424.117028 193.9
[M+H-H2O]+ 368.151130 180.9
[M+HCOO]- 430.152071 212.8
[M+CH3COO]- 444.167721 201.9
[M+Na-2H]- 406.128536 199.5
[M]+ 385.15332142 193.3
[M]- 385.15441858 193.3
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.