CID 135413636

36993-94-9

Structural Information

Molecular Formula
C10H9N3O
SMILES
CC1=NN=C(C(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)
InChIKey
OUSYWCQYMPDAEO-UHFFFAOYSA-N
Compound name
3-methyl-6-phenyl-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

16
Patents

187.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 139.1
[M+Na]+ 210.06377 149.3
[M-H]- 186.06727 141.1
[M+NH4]+ 205.10837 154.2
[M+K]+ 226.03771 144.6
[M+H-H2O]+ 170.07181 130.4
[M+HCOO]- 232.07275 159.7
[M+CH3COO]- 246.08840 151.8
[M+Na-2H]- 208.04922 147.5
[M]+ 187.07400 137.9
[M]- 187.07510 137.9
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.