CID 5277697

Chembl353529

Structural Information

Molecular Formula
C20H22N6O4
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=CC(=N2)CN(C)C3=CC=C(C=C3)C(=O)OC)N
InChI
InChI=1S/C20H22N6O4/c1-4-30-20(28)25-16-9-15-17(18(21)24-16)23-13(10-22-15)11-26(2)14-7-5-12(6-8-14)19(27)29-3/h5-10H,4,11H2,1-3H3,(H3,21,24,25,28)
InChIKey
UVEGCWGMTJJFGU-UHFFFAOYSA-N
Compound name
methyl 4-[[5-amino-7-(ethoxycarbonylamino)pyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.17026 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17754 197.4
[M+Na]+ 433.15948 203.2
[M-H]- 409.16298 202.3
[M+NH4]+ 428.20408 204.1
[M+K]+ 449.13342 200.6
[M+H-H2O]+ 393.16752 185.7
[M+HCOO]- 455.16846 217.5
[M+CH3COO]- 469.18411 235.4
[M+Na-2H]- 431.14493 201.2
[M]+ 410.16971 201.3
[M]- 410.17081 201.3
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.