CID 400210

Nsc711728

Structural Information

Molecular Formula
C20H16F3N3O2
SMILES
COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4)OC
InChI
InChI=1S/C20H16F3N3O2/c1-27-17-8-6-13(11-18(17)28-2)24-19-16-4-3-9-26(16)15-7-5-12(20(21,22)23)10-14(15)25-19/h3-11H,1-2H3,(H,24,25)
InChIKey
PVVPSMDBFXIADX-UHFFFAOYSA-N
Compound name
N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.11948 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.126756 190.1
[M+Na]+ 410.108698 201.6
[M-H]- 386.112204 193.5
[M+NH4]+ 405.153303 202.9
[M+K]+ 426.082638 194.9
[M+H-H2O]+ 370.116740 178.1
[M+HCOO]- 432.117681 207.8
[M+CH3COO]- 446.133331 200.2
[M+Na-2H]- 408.094146 195.0
[M]+ 387.11893142 192.3
[M]- 387.12002858 192.3
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.