CID 509473

N-(4-methoxyphenyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-amine

Structural Information

Molecular Formula
C19H14F3N3O
SMILES
COC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
InChI
InChI=1S/C19H14F3N3O/c1-26-14-7-5-13(6-8-14)23-18-17-3-2-10-25(17)16-9-4-12(19(20,21)22)11-15(16)24-18/h2-11H,1H3,(H,23,24)
InChIKey
VNNNPTHBYSWXCG-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.1089 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11618 181.5
[M+Na]+ 380.09812 192.8
[M-H]- 356.10162 184.6
[M+NH4]+ 375.14272 195.4
[M+K]+ 396.07206 185.5
[M+H-H2O]+ 340.10616 169.6
[M+HCOO]- 402.10710 199.4
[M+CH3COO]- 416.12275 191.9
[M+Na-2H]- 378.08357 187.5
[M]+ 357.10835 181.6
[M]- 357.10945 181.6
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.