CID 135505140

Nsc687208

Structural Information

Molecular Formula
C11H12N4O2
SMILES
CCC1=NNC(=O)N1/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C11H12N4O2/c1-2-10-13-14-11(17)15(10)12-7-8-5-3-4-6-9(8)16/h3-7,16H,2H2,1H3,(H,14,17)/b12-7+
InChIKey
SIGSHOBINRFVAZ-KPKJPENVSA-N
Compound name
3-ethyl-4-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.09602 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 150.3
[M+Na]+ 255.08524 160.1
[M-H]- 231.08874 152.7
[M+NH4]+ 250.12984 165.3
[M+K]+ 271.05918 155.5
[M+H-H2O]+ 215.09328 141.5
[M+HCOO]- 277.09422 172.8
[M+CH3COO]- 291.10987 188.9
[M+Na-2H]- 253.07069 155.1
[M]+ 232.09547 150.6
[M]- 232.09657 150.6
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.