CID 477640

2-ethyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one

Structural Information

Molecular Formula
C11H14N4O
SMILES
CCN1C(=O)N(C(=N1)C2=CC=CC=C2)NC
InChI
InChI=1S/C11H14N4O/c1-3-14-11(16)15(12-2)10(13-14)9-7-5-4-6-8-9/h4-8,12H,3H2,1-2H3
InChIKey
ZSVHXSXPEQECSO-UHFFFAOYSA-N
Compound name
2-ethyl-4-(methylamino)-5-phenyl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.11676 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 147.5
[M+Na]+ 241.10598 157.6
[M-H]- 217.10948 151.2
[M+NH4]+ 236.15058 163.9
[M+K]+ 257.07992 153.9
[M+H-H2O]+ 201.11402 138.6
[M+HCOO]- 263.11496 171.2
[M+CH3COO]- 277.13061 190.7
[M+Na-2H]- 239.09143 152.8
[M]+ 218.11621 149.1
[M]- 218.11731 149.1
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.