CID 210650

Poli 68

Structural Information

Molecular Formula
C17H21N3O
SMILES
CN(C)CCC(=O)C1=NN(C2=C1CCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O/c1-19(2)12-11-16(21)17-14-9-6-10-15(14)20(18-17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKey
RGLJOAWRBKCCTJ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 168.5
[M+Na]+ 306.157678 174.8
[M-H]- 282.161184 174.9
[M+NH4]+ 301.202283 186.4
[M+K]+ 322.131618 171.8
[M+H-H2O]+ 266.165720 159.7
[M+HCOO]- 328.166661 190.2
[M+CH3COO]- 342.182311 206.8
[M+Na-2H]- 304.143126 168.7
[M]+ 283.16791142 170.1
[M]- 283.16900858 170.1
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.