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]+ 334.191376 180.7
[M+Na]+ 356.173318 184.0
[M-H]- 332.176824 189.3
[M+NH4]+ 351.217923 191.8
[M+K]+ 372.147258 177.2
[M+H-H2O]+ 316.181360 169.1
[M+HCOO]- 378.182301 197.8
[M+CH3COO]- 392.197951 189.1
[M+Na-2H]- 354.158766 180.1
[M]+ 333.18355142 171.9
[M]- 333.18464858 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.