CID 3073987

154324-53-5

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCCCCCCCCCC1=C(C(=CC2=NCCN=C21)O)O
InChI
InChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-16(20-12-13-21-18)14-17(22)19(15)23/h14,22-23H,2-13H2,1H3
InChIKey
KETCAHHYGQGUMB-UHFFFAOYSA-N
Compound name
5-undecyl-2,3-dihydroquinoxaline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 180.9
[M+Na]+ 341.219958 187.1
[M-H]- 317.223464 179.1
[M+NH4]+ 336.264563 192.9
[M+K]+ 357.193898 181.0
[M+H-H2O]+ 301.228000 172.1
[M+HCOO]- 363.228941 196.6
[M+CH3COO]- 377.244591 206.6
[M+Na-2H]- 339.205406 183.8
[M]+ 318.23019142 184.4
[M]- 318.23128858 184.4
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.