CID 210621

Poli 139

Structural Information

Molecular Formula
C21H29N3O3
SMILES
CCN(CC)CCOC(=O)CC1=NN(C2=C1CCC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H29N3O3/c1-4-23(5-2)13-14-27-21(25)15-19-18-7-6-8-20(18)24(22-19)16-9-11-17(26-3)12-10-16/h9-12H,4-8,13-15H2,1-3H3
InChIKey
FZQJXPRSLNRAGY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2209 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.22818 192.4
[M+Na]+ 394.21012 197.4
[M-H]- 370.21362 198.4
[M+NH4]+ 389.25472 206.7
[M+K]+ 410.18406 194.8
[M+H-H2O]+ 354.21816 183.0
[M+HCOO]- 416.21910 212.9
[M+CH3COO]- 430.23475 223.1
[M+Na-2H]- 392.19557 190.1
[M]+ 371.22035 198.3
[M]- 371.22145 198.3
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.