CID 3007266

Schembl5150555

Structural Information

Molecular Formula
C19H16Cl2N2O3
SMILES
CC1=C(C(=CC=C1)OC)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C19H16Cl2N2O3/c1-11-5-3-8-15(25-2)17(11)14-10-16(26-23-14)12-6-4-7-13(9-12)22-19(24)18(20)21/h3-10,18H,1-2H3,(H,22,24)
InChIKey
MALYAOGAQHNQFU-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-methoxy-6-methylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

390.0538 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06108 190.3
[M+Na]+ 413.04302 199.3
[M-H]- 389.04652 199.3
[M+NH4]+ 408.08762 201.8
[M+K]+ 429.01696 194.1
[M+H-H2O]+ 373.05106 182.1
[M+HCOO]- 435.05200 202.8
[M+CH3COO]- 449.06765 219.1
[M+Na-2H]- 411.02847 189.9
[M]+ 390.05325 197.2
[M]- 390.05435 197.2
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