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[2,1-d]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]+ 333.196146 184.9
[M+Na]+ 355.178088 195.2
[M-H]- 331.181594 190.8
[M+NH4]+ 350.222693 203.7
[M+K]+ 371.152028 188.7
[M+H-H2O]+ 315.186130 177.5
[M+HCOO]- 377.187071 202.2
[M+CH3COO]- 391.202721 196.1
[M+Na-2H]- 353.163536 187.4
[M]+ 332.18832142 187.9
[M]- 332.18941858 187.9
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.