CID 124473

91896-57-0

Structural Information

Molecular Formula
C15H10ClN5
SMILES
C1=CC=C(C=C1)C2=NN=C3N2C4=C(C=CC(=C4)Cl)N=C3N
InChI
InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)
InChIKey
PBENJWAFQLORQL-UHFFFAOYSA-N
Compound name
8-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

11
Patents

295.06247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06975 166.0
[M+Na]+ 318.05169 179.5
[M-H]- 294.05519 169.9
[M+NH4]+ 313.09629 180.3
[M+K]+ 334.02563 171.1
[M+H-H2O]+ 278.05973 155.8
[M+HCOO]- 340.06067 181.9
[M+CH3COO]- 354.07632 177.7
[M+Na-2H]- 316.03714 173.5
[M]+ 295.06192 169.2
[M]- 295.06302 169.2
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