CID 399097

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

Structural Information

Molecular Formula
C16H12N4
SMILES
CC1=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4
InChI
InChI=1S/C16H12N4/c1-11-18-19-16-15(12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)20(11)16/h2-10H,1H3
InChIKey
KNSYKMZNAIPFGV-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

260.1062 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.113476 160.3
[M+Na]+ 283.095418 172.6
[M-H]- 259.098924 164.4
[M+NH4]+ 278.140023 175.5
[M+K]+ 299.069358 165.5
[M+H-H2O]+ 243.103460 149.7
[M+HCOO]- 305.104401 180.1
[M+CH3COO]- 319.120051 172.4
[M+Na-2H]- 281.080866 168.6
[M]+ 260.10565142 162.7
[M]- 260.10674858 162.7
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

patents stripe