CID 210652

Poli 71

Structural Information

Molecular Formula
C18H23N3O
SMILES
CN(C)CCC(=O)C1=NN(C2=C1CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O/c1-20(2)13-12-17(22)18-15-10-6-7-11-16(15)21(19-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKey
HEOZRVIODRIQMF-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 172.3
[M+Na]+ 320.17332 177.3
[M-H]- 296.17682 177.7
[M+NH4]+ 315.21792 187.5
[M+K]+ 336.14726 173.7
[M+H-H2O]+ 280.18136 162.5
[M+HCOO]- 342.18230 191.2
[M+CH3COO]- 356.19795 210.0
[M+Na-2H]- 318.15877 173.7
[M]+ 297.18355 171.8
[M]- 297.18465 171.8
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.