CID 210627

Poli 140

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CCN(CC)CCOC(=O)C(C1=NN(C2=C1CCC2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H27N3O3/c1-3-22(4-2)13-14-26-20(25)19(24)18-16-11-8-12-17(16)23(21-18)15-9-6-5-7-10-15/h5-7,9-10,19,24H,3-4,8,11-14H2,1-2H3
InChIKey
JERMFEFWRWKWRH-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20523 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 187.9
[M+Na]+ 380.19445 191.6
[M-H]- 356.19795 192.5
[M+NH4]+ 375.23905 201.7
[M+K]+ 396.16839 189.1
[M+H-H2O]+ 340.20249 178.9
[M+HCOO]- 402.20343 206.3
[M+CH3COO]- 416.21908 217.5
[M+Na-2H]- 378.17990 185.4
[M]+ 357.20468 190.7
[M]- 357.20578 190.7
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.