CID 135424251

94906-63-5

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1C(=NC2=CC=CC(=C2)N)NN(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14N4O/c16-11-5-4-6-12(9-11)17-14-10-15(20)19(18-14)13-7-2-1-3-8-13/h1-9H,10,16H2,(H,17,18)
InChIKey
YGCYLYRGUCMWMI-UHFFFAOYSA-N
Compound name
5-(3-aminophenyl)imino-2-phenylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11676 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 159.9
[M+Na]+ 289.105978 166.9
[M-H]- 265.109484 166.8
[M+NH4]+ 284.150583 174.2
[M+K]+ 305.079918 161.1
[M+H-H2O]+ 249.114020 150.1
[M+HCOO]- 311.114961 182.7
[M+CH3COO]- 325.130611 171.0
[M+Na-2H]- 287.091426 163.2
[M]+ 266.11621142 154.5
[M]- 266.11730858 154.5
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.