CID 384784

Nsc675219

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1=CC=C(C=C1)CC2=NNC(=O)N2NC3=CC=CC=C3
InChI
InChI=1S/C15H14N4O/c20-15-17-16-14(11-12-7-3-1-4-8-12)19(15)18-13-9-5-2-6-10-13/h1-10,18H,11H2,(H,17,20)
InChIKey
KAXFASGJWJRXDX-UHFFFAOYSA-N
Compound name
4-anilino-3-benzyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11676 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 158.8
[M+Na]+ 289.105978 167.0
[M-H]- 265.109484 163.7
[M+NH4]+ 284.150583 171.5
[M+K]+ 305.079918 160.6
[M+H-H2O]+ 249.114020 148.4
[M+HCOO]- 311.114961 180.9
[M+CH3COO]- 325.130611 169.9
[M+Na-2H]- 287.091426 164.8
[M]+ 266.11621142 156.9
[M]- 266.11730858 156.9
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.