CID 135509212

Nsc681539

Structural Information

Molecular Formula
C20H16N4O2
SMILES
C1=CC=C(C=C1)CC2=NNC(=O)N2/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H16N4O2/c25-18-11-10-15-8-4-5-9-16(15)17(18)13-21-24-19(22-23-20(24)26)12-14-6-2-1-3-7-14/h1-11,13,25H,12H2,(H,23,26)/b21-13+
InChIKey
HUQKTBQVXCKJGZ-FYJGNVAPSA-N
Compound name
3-benzyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12732 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 180.4
[M+Na]+ 367.11654 190.5
[M-H]- 343.12004 187.0
[M+NH4]+ 362.16114 191.1
[M+K]+ 383.09048 182.3
[M+H-H2O]+ 327.12458 169.5
[M+HCOO]- 389.12552 202.0
[M+CH3COO]- 403.14117 190.8
[M+Na-2H]- 365.10199 186.0
[M]+ 344.12677 181.6
[M]- 344.12787 181.6
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.