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[c]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]+ 284.17574 168.5
[M+Na]+ 306.15768 174.8
[M-H]- 282.16118 174.9
[M+NH4]+ 301.20228 186.4
[M+K]+ 322.13162 171.8
[M+H-H2O]+ 266.16572 159.7
[M+HCOO]- 328.16666 190.2
[M+CH3COO]- 342.18231 206.8
[M+Na-2H]- 304.14313 168.7
[M]+ 283.16791 170.1
[M]- 283.16901 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.