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 180.7
[M+Na]+ 356.17332 184.0
[M-H]- 332.17682 189.3
[M+NH4]+ 351.21792 191.8
[M+K]+ 372.14726 177.2
[M+H-H2O]+ 316.18136 169.1
[M+HCOO]- 378.18230 197.8
[M+CH3COO]- 392.19795 189.1
[M+Na-2H]- 354.15877 180.1
[M]+ 333.18355 171.9
[M]- 333.18465 171.9
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.