CID 216360

68946-08-7

Structural Information

Molecular Formula
C22H31N3O
SMILES
CCN1C2=C(C(=N1)C(C)(C)C)C(C3=CC=CC=C32)(C4CCN(CC4)C)O
InChI
InChI=1S/C22H31N3O/c1-6-25-19-16-9-7-8-10-17(16)22(26,15-11-13-24(5)14-12-15)18(19)20(23-25)21(2,3)4/h7-10,15,26H,6,11-14H2,1-5H3
InChIKey
VYEXHVUCZPUIEI-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-ethyl-4-(1-methylpiperidin-4-yl)indeno[1,2-c]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2467 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.25398 188.7
[M+Na]+ 376.23592 200.1
[M+NH4]+ 371.28052 197.7
[M+K]+ 392.20986 195.1
[M-H]- 352.23942 190.7
[M+Na-2H]- 374.22137 192.8
[M]+ 353.24615 191.1
[M]- 353.24725 191.1
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.