CID 5468722

Nsc675222

Structural Information

Molecular Formula
C15H12N4O
SMILES
C1=CC=C(C=C1)/C=N/N2C(=NNC2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12N4O/c20-15-18-17-14(13-9-5-2-6-10-13)19(15)16-11-12-7-3-1-4-8-12/h1-11H,(H,18,20)/b16-11+
InChIKey
PUZXUSOTUOCXFG-LFIBNONCSA-N
Compound name
4-[(E)-benzylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1011 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10838 158.5
[M+Na]+ 287.09032 167.5
[M-H]- 263.09382 164.8
[M+NH4]+ 282.13492 172.0
[M+K]+ 303.06426 161.4
[M+H-H2O]+ 247.09836 147.9
[M+HCOO]- 309.09930 182.2
[M+CH3COO]- 323.11495 170.3
[M+Na-2H]- 285.07577 164.8
[M]+ 264.10055 157.6
[M]- 264.10165 157.6
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.