CID 136230266

3-(hydroxymethyl)-6-phenyl-4,5-dihydro-1,2,4-triazin-5-one

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)C2=NN=C(NC2=O)CO
InChI
InChI=1S/C10H9N3O2/c14-6-8-11-10(15)9(13-12-8)7-4-2-1-3-5-7/h1-5,14H,6H2,(H,11,12,15)
InChIKey
HRXDWTSTJGWGDW-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-6-phenyl-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 142.8
[M+Na]+ 226.058688 152.5
[M-H]- 202.062194 143.4
[M+NH4]+ 221.103293 156.4
[M+K]+ 242.032628 147.4
[M+H-H2O]+ 186.066730 134.2
[M+HCOO]- 248.067671 162.1
[M+CH3COO]- 262.083321 154.6
[M+Na-2H]- 224.044136 150.7
[M]+ 203.06892142 141.2
[M]- 203.07001858 141.2
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

No patent data available for this compound.