CID 210662

Poli 78

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CN(C)CCC(=O)C1=NN(C2=C1CCC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H23N3O2/c1-20(2)12-11-17(22)18-15-5-4-6-16(15)21(19-18)13-7-9-14(23-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKey
TWGRSZZIDRDJEP-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-[1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 174.9
[M+Na]+ 336.16824 185.2
[M+NH4]+ 331.21284 182.0
[M+K]+ 352.14218 182.9
[M-H]- 312.17174 177.6
[M+Na-2H]- 334.15369 179.5
[M]+ 313.17847 176.9
[M]- 313.17957 176.9
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.