CID 3007285

Schembl5148417

Structural Information

Molecular Formula
C22H20Cl2N2O2
SMILES
C1CCC(C1)C2=CC=CC=C2C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl
InChI
InChI=1S/C22H20Cl2N2O2/c23-21(24)22(27)25-16-9-5-8-15(12-16)20-13-19(26-28-20)18-11-4-3-10-17(18)14-6-1-2-7-14/h3-5,8-14,21H,1-2,6-7H2,(H,25,27)
InChIKey
GLSRYTBRVOMSHH-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-cyclopentylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

414.09018 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.09746 200.7
[M+Na]+ 437.07940 206.7
[M-H]- 413.08290 211.8
[M+NH4]+ 432.12400 212.1
[M+K]+ 453.05334 200.5
[M+H-H2O]+ 397.08744 191.8
[M+HCOO]- 459.08838 211.1
[M+CH3COO]- 473.10403 209.6
[M+Na-2H]- 435.06485 196.6
[M]+ 414.08963 202.5
[M]- 414.09073 202.5
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

patents stripe