CID 399540

Nsc710404

Structural Information

Molecular Formula
C21H20N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)OCC2=NC3=CC=CC=C3N4C2=CC=C4
InChI
InChI=1S/C21H20N2O4/c1-24-19-11-14(12-20(25-2)21(19)26-3)27-13-16-18-9-6-10-23(18)17-8-5-4-7-15(17)22-16/h4-12H,13H2,1-3H3
InChIKey
BEJCRZZFAIBPOP-UHFFFAOYSA-N
Compound name
4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.1423 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14958 186.6
[M+Na]+ 387.13152 197.4
[M-H]- 363.13502 193.6
[M+NH4]+ 382.17612 200.4
[M+K]+ 403.10546 192.8
[M+H-H2O]+ 347.13956 176.5
[M+HCOO]- 409.14050 208.0
[M+CH3COO]- 423.15615 198.0
[M+Na-2H]- 385.11697 191.3
[M]+ 364.14175 196.0
[M]- 364.14285 196.0
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.