CID 3007240

Schembl5154707

Structural Information

Molecular Formula
C18H13Cl3N2O2
SMILES
CC1=C(C(=CC=C1)Cl)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C18H13Cl3N2O2/c1-10-4-2-7-13(19)16(10)14-9-15(25-23-14)11-5-3-6-12(8-11)22-18(24)17(20)21/h2-9,17H,1H3,(H,22,24)
InChIKey
VRFJZEREVQCTSJ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-chloro-6-methylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

394.00427 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01155 189.4
[M+Na]+ 416.99349 198.8
[M-H]- 392.99699 196.9
[M+NH4]+ 412.03809 200.9
[M+K]+ 432.96743 192.6
[M+H-H2O]+ 377.00153 181.8
[M+HCOO]- 439.00247 196.4
[M+CH3COO]- 453.01812 199.1
[M+Na-2H]- 414.97894 188.3
[M]+ 394.00372 194.9
[M]- 394.00482 194.9
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.