CID 400209

Nsc711727

Structural Information

Molecular Formula
C21H18F3N3O3
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
InChI
InChI=1S/C21H18F3N3O3/c1-28-17-10-13(11-18(29-2)19(17)30-3)25-20-16-5-4-8-27(16)15-7-6-12(21(22,23)24)9-14(15)26-20/h4-11H,1-3H3,(H,25,26)
InChIKey
IMCLBXOFMFYEDT-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.13004 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13732 198.6
[M+Na]+ 440.11926 210.1
[M-H]- 416.12276 202.1
[M+NH4]+ 435.16386 210.2
[M+K]+ 456.09320 204.0
[M+H-H2O]+ 400.12730 186.4
[M+HCOO]- 462.12824 215.9
[M+CH3COO]- 476.14389 229.2
[M+Na-2H]- 438.10471 202.4
[M]+ 417.12949 202.8
[M]- 417.13059 202.8
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.