CID 4609806

2,2-dimethyl-n-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)amino]ethyl}propanamide

Structural Information

Molecular Formula
C18H23Cl3N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C
InChI
InChI=1S/C18H23Cl3N4O2/c1-11-13(14(26)25(24(11)5)12-9-7-6-8-10-12)22-15(18(19,20)21)23-16(27)17(2,3)4/h6-10,15,22H,1-5H3,(H,23,27)
InChIKey
SCTIVKURCNWVKD-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

432.08865 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09593 201.7
[M+Na]+ 455.07787 209.6
[M-H]- 431.08137 205.1
[M+NH4]+ 450.12247 212.1
[M+K]+ 471.05181 203.5
[M+H-H2O]+ 415.08591 194.8
[M+HCOO]- 477.08685 205.3
[M+CH3COO]- 491.10250 228.6
[M+Na-2H]- 453.06332 200.7
[M]+ 432.08810 206.3
[M]- 432.08920 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.