CID 465053

Chembl114481

Structural Information

Molecular Formula
C19H31ClN2O2
SMILES
CCCCCCCCC(C)(CCCC)OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C19H31ClN2O2/c1-4-6-8-9-10-11-13-19(3,12-7-5-2)24-18(23)16-14-22-17(20)15-21-16/h14-15H,4-13H2,1-3H3
InChIKey
DPEVHOCINYGPLP-UHFFFAOYSA-N
Compound name
5-methyltridecan-5-yl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.2074 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21468 189.2
[M+Na]+ 377.19662 194.4
[M-H]- 353.20012 188.6
[M+NH4]+ 372.24122 200.6
[M+K]+ 393.17056 189.2
[M+H-H2O]+ 337.20466 180.8
[M+HCOO]- 399.20560 201.2
[M+CH3COO]- 413.22125 215.0
[M+Na-2H]- 375.18207 190.6
[M]+ 354.20685 197.0
[M]- 354.20795 197.0
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.