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]+ 388.12676 190.1
[M+Na]+ 410.10870 201.6
[M-H]- 386.11220 193.5
[M+NH4]+ 405.15330 202.9
[M+K]+ 426.08264 194.9
[M+H-H2O]+ 370.11674 178.1
[M+HCOO]- 432.11768 207.8
[M+CH3COO]- 446.13333 200.2
[M+Na-2H]- 408.09415 195.0
[M]+ 387.11893 192.3
[M]- 387.12003 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.