CID 486232

4-phenyl-1-prop-2-ynyl-[1,2,4]triazolo[4,3-a]quinoxaline

Structural Information

Molecular Formula
C18H12N4
SMILES
C#CCC1=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4
InChI
InChI=1S/C18H12N4/c1-2-8-16-20-21-18-17(13-9-4-3-5-10-13)19-14-11-6-7-12-15(14)22(16)18/h1,3-7,9-12H,8H2
InChIKey
XMGAJWGYVCLHMR-UHFFFAOYSA-N
Compound name
4-phenyl-1-prop-2-ynyl-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1062 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11348 168.1
[M+Na]+ 307.09542 181.4
[M-H]- 283.09892 167.9
[M+NH4]+ 302.14002 179.6
[M+K]+ 323.06936 170.2
[M+H-H2O]+ 267.10346 150.6
[M+HCOO]- 329.10440 180.9
[M+CH3COO]- 343.12005 176.9
[M+Na-2H]- 305.08087 173.1
[M]+ 284.10565 163.9
[M]- 284.10675 163.9
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.