CID 5277358

Ethyl n-(5-amino-3-benzyloxy-2-methyl-pyrido[3,4-b]pyrazin-7-yl)carbamate

Structural Information

Molecular Formula
C18H19N5O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=C(C(=N2)OCC3=CC=CC=C3)C)N
InChI
InChI=1S/C18H19N5O3/c1-3-25-18(24)22-14-9-13-15(16(19)21-14)23-17(11(2)20-13)26-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H3,19,21,22,24)
InChIKey
INYRDRWVULAIBF-UHFFFAOYSA-N
Compound name
ethyl N-(5-amino-2-methyl-3-phenylmethoxypyrido[3,4-b]pyrazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 184.4
[M+Na]+ 376.13802 192.2
[M-H]- 352.14152 188.0
[M+NH4]+ 371.18262 193.4
[M+K]+ 392.11196 187.5
[M+H-H2O]+ 336.14606 173.3
[M+HCOO]- 398.14700 204.2
[M+CH3COO]- 412.16265 219.2
[M+Na-2H]- 374.12347 189.9
[M]+ 353.14825 187.0
[M]- 353.14935 187.0
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.