CID 399106

Nsc709522

Structural Information

Molecular Formula
C19H16N4O2
SMILES
CCOC(=O)CC1=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4
InChI
InChI=1S/C19H16N4O2/c1-2-25-17(24)12-16-21-22-19-18(13-8-4-3-5-9-13)20-14-10-6-7-11-15(14)23(16)19/h3-11H,2,12H2,1H3
InChIKey
RTGLKNHGGAQFGQ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.12732 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 179.3
[M+Na]+ 355.11654 189.6
[M-H]- 331.12004 183.1
[M+NH4]+ 350.16114 191.1
[M+K]+ 371.09048 183.2
[M+H-H2O]+ 315.12458 168.0
[M+HCOO]- 377.12552 197.5
[M+CH3COO]- 391.14117 189.6
[M+Na-2H]- 353.10199 185.1
[M]+ 332.12677 183.9
[M]- 332.12787 183.9
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.