CID 3007280

Schembl5150275

Structural Information

Molecular Formula
C20H18Cl2N2O3
SMILES
CC(C)OC1=CC=CC=C1C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C20H18Cl2N2O3/c1-12(2)26-17-9-4-3-8-15(17)16-11-18(27-24-16)13-6-5-7-14(10-13)23-20(25)19(21)22/h3-12,19H,1-2H3,(H,23,25)
InChIKey
MQDVUIVCHDLVAT-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-propan-2-yloxyphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

404.06946 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07674 193.9
[M+Na]+ 427.05868 201.3
[M-H]- 403.06218 202.6
[M+NH4]+ 422.10328 204.6
[M+K]+ 443.03262 196.4
[M+H-H2O]+ 387.06672 185.5
[M+HCOO]- 449.06766 205.2
[M+CH3COO]- 463.08331 221.7
[M+Na-2H]- 425.04413 192.8
[M]+ 404.06891 200.4
[M]- 404.07001 200.4
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