CID 45054371

763110-52-7

Structural Information

Molecular Formula
C14H20ClN5O4
SMILES
CCOC(=O)CN1CCN(CC1)C2=NC(=C(N=C2Cl)C(=O)OC)N
InChI
InChI=1S/C14H20ClN5O4/c1-3-24-9(21)8-19-4-6-20(7-5-19)13-11(15)17-10(12(16)18-13)14(22)23-2/h3-8H2,1-2H3,(H2,16,18)
InChIKey
QDTNATAUNIZEQW-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-chloro-5-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1204 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12768 180.9
[M+Na]+ 380.10962 187.6
[M-H]- 356.11312 181.5
[M+NH4]+ 375.15422 188.5
[M+K]+ 396.08356 183.9
[M+H-H2O]+ 340.11766 170.9
[M+HCOO]- 402.11860 190.6
[M+CH3COO]- 416.13425 214.3
[M+Na-2H]- 378.09507 180.4
[M]+ 357.11985 182.5
[M]- 357.12095 182.5
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.