CID 3007261

Schembl5153002

Structural Information

Molecular Formula
C18H13Cl3N2O3
SMILES
COC1=C(C(=CC=C1)Cl)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C18H13Cl3N2O3/c1-25-14-7-3-6-12(19)16(14)13-9-15(26-23-13)10-4-2-5-11(8-10)22-18(24)17(20)21/h2-9,17H,1H3,(H,22,24)
InChIKey
KJQIOMKVRBSVLW-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

409.99918 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.00646 191.2
[M+Na]+ 432.98840 200.5
[M-H]- 408.99190 198.9
[M+NH4]+ 428.03300 202.1
[M+K]+ 448.96234 195.0
[M+H-H2O]+ 392.99644 183.6
[M+HCOO]- 454.99738 198.5
[M+CH3COO]- 469.01303 200.9
[M+Na-2H]- 430.97385 190.4
[M]+ 409.99863 198.1
[M]- 409.99973 198.1
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