CID 216360

Brn 0698684

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[2,1-d]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]+ 354.253976 192.9
[M+Na]+ 376.235918 200.9
[M-H]- 352.239424 196.4
[M+NH4]+ 371.280523 209.5
[M+K]+ 392.209858 194.8
[M+H-H2O]+ 336.243960 184.9
[M+HCOO]- 398.244901 204.4
[M+CH3COO]- 412.260551 201.8
[M+Na-2H]- 374.221366 191.6
[M]+ 353.24615142 192.4
[M]- 353.24724858 192.4
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.