CID 170518

[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one

Structural Information

Molecular Formula
C10H7N3O
SMILES
C1=CC=C2C(=C1)C=CC3=NNC(=O)N32
InChI
InChI=1S/C10H7N3O/c14-10-12-11-9-6-5-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,12,14)
InChIKey
OGRIQXCIIAIROA-UHFFFAOYSA-N
Compound name
2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

185.05891 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.066186 135.4
[M+Na]+ 208.048128 148.0
[M-H]- 184.051634 136.7
[M+NH4]+ 203.092733 154.7
[M+K]+ 224.022068 142.7
[M+H-H2O]+ 168.056170 127.8
[M+HCOO]- 230.057111 156.5
[M+CH3COO]- 244.072761 149.2
[M+Na-2H]- 206.033576 145.5
[M]+ 185.05836142 136.7
[M]- 185.05945858 136.7
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