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

0
Patents

297.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 172.3
[M+Na]+ 320.173318 177.3
[M-H]- 296.176824 177.7
[M+NH4]+ 315.217923 187.5
[M+K]+ 336.147258 173.7
[M+H-H2O]+ 280.181360 162.5
[M+HCOO]- 342.182301 191.2
[M+CH3COO]- 356.197951 210.0
[M+Na-2H]- 318.158766 173.7
[M]+ 297.18355142 171.8
[M]- 297.18464858 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.