CID 44470246

Pd175009

Structural Information

Molecular Formula
C23H23Cl3N4O3
SMILES
CCOC(=O)C1CCCN1NC(=O)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H23Cl3N4O3/c1-2-33-23(32)20-4-3-11-29(20)28-22(31)18-13-21(14-5-7-15(24)8-6-14)30(27-18)19-10-9-16(25)12-17(19)26/h5-10,12,20-21H,2-4,11,13H2,1H3,(H,28,31)
InChIKey
SXZDWKSALIBFCB-UHFFFAOYSA-N
Compound name
ethyl 1-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.0836 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.09088 217.8
[M+Na]+ 531.07282 224.3
[M-H]- 507.07632 225.0
[M+NH4]+ 526.11742 224.8
[M+K]+ 547.04676 217.5
[M+H-H2O]+ 491.08086 207.0
[M+HCOO]- 553.08180 219.7
[M+CH3COO]- 567.09745 223.9
[M+Na-2H]- 529.05827 209.4
[M]+ 508.08305 220.8
[M]- 508.08415 220.8
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.