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 184.9
[M+Na]+ 355.17809 195.2
[M-H]- 331.18159 190.8
[M+NH4]+ 350.22269 203.7
[M+K]+ 371.15203 188.7
[M+H-H2O]+ 315.18613 177.5
[M+HCOO]- 377.18707 202.2
[M+CH3COO]- 391.20272 196.1
[M+Na-2H]- 353.16354 187.4
[M]+ 332.18832 187.9
[M]- 332.18942 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.