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]+ 267.12404 161.8
[M+Na]+ 289.10598 174.0
[M+NH4]+ 284.15058 169.1
[M+K]+ 305.07992 168.9
[M-H]- 265.10948 167.2
[M+Na-2H]- 287.09143 170.4
[M]+ 266.11621 164.7
[M]- 266.11731 164.7
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.