CID 146027016

Chembl4635874

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CCN(CCN1C=CC=N1)C(=O)CC2=CC=C(C=C2)OC3=CC(=C(C=C3)C#N)C
InChI
InChI=1S/C23H24N4O2/c1-3-26(13-14-27-12-4-11-25-27)23(28)16-19-5-8-21(9-6-19)29-22-10-7-20(17-24)18(2)15-22/h4-12,15H,3,13-14,16H2,1-2H3
InChIKey
ABKHTUJKHPJZLS-UHFFFAOYSA-N
Compound name
2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 196.3
[M+Na]+ 411.17912 203.6
[M-H]- 387.18262 201.5
[M+NH4]+ 406.22372 204.8
[M+K]+ 427.15306 197.2
[M+H-H2O]+ 371.18716 177.9
[M+HCOO]- 433.18810 213.7
[M+CH3COO]- 447.20375 233.5
[M+Na-2H]- 409.16457 195.1
[M]+ 388.18935 194.2
[M]- 388.19045 194.2
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.