CID 485608

Pentadecyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C20H33ClN2O2
SMILES
CCCCCCCCCCCCCCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C20H33ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-20(24)18-16-23-19(21)17-22-18/h16-17H,2-15H2,1H3
InChIKey
HRGOBBIOLCPLQC-UHFFFAOYSA-N
Compound name
pentadecyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22305 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23033 192.7
[M+Na]+ 391.21227 197.0
[M-H]- 367.21577 191.4
[M+NH4]+ 386.25687 203.4
[M+K]+ 407.18621 191.1
[M+H-H2O]+ 351.22031 183.4
[M+HCOO]- 413.22125 206.0
[M+CH3COO]- 427.23690 217.5
[M+Na-2H]- 389.19772 192.8
[M]+ 368.22250 201.3
[M]- 368.22360 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.