CID 400925

Nsc713609

Structural Information

Molecular Formula
C20H19N5O
SMILES
C1COCCN1CC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C20H19N5O/c1-2-6-15(7-3-1)19-20-23-22-18(14-24-10-12-26-13-11-24)25(20)17-9-5-4-8-16(17)21-19/h1-9H,10-14H2
InChIKey
KJUOFKVPYXCQFT-UHFFFAOYSA-N
Compound name
4-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15897 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16625 182.8
[M+Na]+ 368.14819 191.3
[M-H]- 344.15169 187.7
[M+NH4]+ 363.19279 190.5
[M+K]+ 384.12213 184.5
[M+H-H2O]+ 328.15623 169.3
[M+HCOO]- 390.15717 195.7
[M+CH3COO]- 404.17282 191.3
[M+Na-2H]- 366.13364 187.7
[M]+ 345.15842 181.7
[M]- 345.15952 181.7
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

No patent data available for this compound.