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]+ 319.23802 180.9
[M+Na]+ 341.21996 193.4
[M+NH4]+ 336.26456 187.2
[M+K]+ 357.19390 185.0
[M-H]- 317.22346 181.5
[M+Na-2H]- 339.20541 184.7
[M]+ 318.23019 182.8
[M]- 318.23129 182.8
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.