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 192.9
[M+Na]+ 376.23592 200.9
[M-H]- 352.23942 196.4
[M+NH4]+ 371.28052 209.5
[M+K]+ 392.20986 194.8
[M+H-H2O]+ 336.24396 184.9
[M+HCOO]- 398.24490 204.4
[M+CH3COO]- 412.26055 201.8
[M+Na-2H]- 374.22137 191.6
[M]+ 353.24615 192.4
[M]- 353.24725 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.