CID 3007257

Schembl5154977

Structural Information

Molecular Formula
C20H18Cl2N2O2
SMILES
CC1=CC(=C(C(=C1)C)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)C
InChI
InChI=1S/C20H18Cl2N2O2/c1-11-7-12(2)18(13(3)8-11)16-10-17(26-24-16)14-5-4-6-15(9-14)23-20(25)19(21)22/h4-10,19H,1-3H3,(H,23,25)
InChIKey
FDCIXSQGUFZZIC-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

388.07452 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08180 192.7
[M+Na]+ 411.06374 202.4
[M-H]- 387.06724 201.8
[M+NH4]+ 406.10834 204.7
[M+K]+ 427.03768 196.3
[M+H-H2O]+ 371.07178 184.7
[M+HCOO]- 433.07272 204.6
[M+CH3COO]- 447.08837 221.1
[M+Na-2H]- 409.04919 191.0
[M]+ 388.07397 199.0
[M]- 388.07507 199.0
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