CID 216369

56767-27-2

Structural Information

Molecular Formula
C22H24N2O
SMILES
CCN1C2=C(C(=N1)C(C)(C)C)C(C3=CC=CC=C32)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H24N2O/c1-5-24-19-16-13-9-10-14-17(16)22(25,15-11-7-6-8-12-15)18(19)20(23-24)21(2,3)4/h6-14,25H,5H2,1-4H3
InChIKey
JAGDZUSUEIQTBZ-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-ethyl-4-phenylindeno[1,2-c]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 181.2
[M+Na]+ 355.17809 195.2
[M+NH4]+ 350.22269 191.2
[M+K]+ 371.15203 189.1
[M-H]- 331.18159 184.6
[M+Na-2H]- 353.16354 188.6
[M]+ 332.18832 184.6
[M]- 332.18942 184.6
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.