CID 135435874

22123-83-7

Structural Information

Molecular Formula
C21H23N3O
SMILES
C1CCC(CC1)C2=CC=C(C=C2)N=C3CC(=O)N(N3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c25-21-15-20(23-24(21)19-9-5-2-6-10-19)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,22,23)
InChIKey
QKUSSWRSHPNKKR-UHFFFAOYSA-N
Compound name
5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 183.5
[M+Na]+ 356.17332 196.3
[M+NH4]+ 351.21792 191.5
[M+K]+ 372.14726 189.2
[M-H]- 332.17682 190.9
[M+Na-2H]- 354.15877 192.6
[M]+ 333.18355 187.2
[M]- 333.18465 187.2
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.