CID 216358

68946-21-4

Structural Information

Molecular Formula
C21H31N3O
SMILES
CCN1C2=C(C(=N1)C(C)(C)C)C(C3=CC=CC=C32)(CCCN(C)C)O
InChI
InChI=1S/C21H31N3O/c1-7-24-18-15-11-8-9-12-16(15)21(25,13-10-14-23(5)6)17(18)19(22-24)20(2,3)4/h8-9,11-12,25H,7,10,13-14H2,1-6H3
InChIKey
UZOJZYCTKHTMHG-UHFFFAOYSA-N
Compound name
3-tert-butyl-4-[3-(dimethylamino)propyl]-1-ethylindeno[1,2-c]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2467 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.25398 184.9
[M+Na]+ 364.23592 194.9
[M+NH4]+ 359.28052 193.5
[M+K]+ 380.20986 190.5
[M-H]- 340.23942 185.9
[M+Na-2H]- 362.22137 188.5
[M]+ 341.24615 186.7
[M]- 341.24725 186.7
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.