CID 509475

4-[(4-methoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline

Structural Information

Molecular Formula
C19H16N2O2
SMILES
COC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N4C2=CC=C4
InChI
InChI=1S/C19H16N2O2/c1-22-14-8-10-15(11-9-14)23-13-17-19-7-4-12-21(19)18-6-3-2-5-16(18)20-17/h2-12H,13H2,1H3
InChIKey
ROAVCPYJNFVSIT-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1212 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 170.4
[M+Na]+ 327.11042 180.9
[M-H]- 303.11392 176.9
[M+NH4]+ 322.15502 186.4
[M+K]+ 343.08436 175.2
[M+H-H2O]+ 287.11846 160.6
[M+HCOO]- 349.11940 192.3
[M+CH3COO]- 363.13505 182.5
[M+Na-2H]- 325.09587 177.4
[M]+ 304.12065 175.6
[M]- 304.12175 175.6
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.