CID 477636

3-phenyl-4-(3-pyridyl)-1h-1,2,4-triazol-5-one

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C(C=C1)C2=NNC(=O)N2C3=CN=CC=C3
InChI
InChI=1S/C13H10N4O/c18-13-16-15-12(10-5-2-1-3-6-10)17(13)11-7-4-8-14-9-11/h1-9H,(H,16,18)
InChIKey
QNHGTWOZGQAZLH-UHFFFAOYSA-N
Compound name
3-phenyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.08546 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 151.8
[M+Na]+ 261.07468 161.8
[M-H]- 237.07818 155.7
[M+NH4]+ 256.11928 164.6
[M+K]+ 277.04862 155.6
[M+H-H2O]+ 221.08272 141.3
[M+HCOO]- 283.08366 172.0
[M+CH3COO]- 297.09931 163.5
[M+Na-2H]- 259.06013 157.9
[M]+ 238.08491 150.3
[M]- 238.08601 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.