CID 135408760

33957-63-0

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=O)N2)N
InChI
InChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)
InChIKey
ZBKCUYOBOGCDKC-UHFFFAOYSA-N
Compound name
4-amino-6-phenyl-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

188.06981 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.077086 139.2
[M+Na]+ 211.059028 149.0
[M-H]- 187.062534 140.8
[M+NH4]+ 206.103633 153.5
[M+K]+ 227.032968 143.9
[M+H-H2O]+ 171.067070 130.4
[M+HCOO]- 233.068011 160.5
[M+CH3COO]- 247.083661 151.4
[M+Na-2H]- 209.044476 147.5
[M]+ 188.06926142 136.0
[M]- 188.07035858 136.0
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