CID 3007248

Schembl5852224

Structural Information

Molecular Formula
C19H16Cl2N2O2
SMILES
CC1=C(C(=CC=C1)C)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C19H16Cl2N2O2/c1-11-5-3-6-12(2)17(11)15-10-16(25-23-15)13-7-4-8-14(9-13)22-19(24)18(20)21/h3-10,18H,1-2H3,(H,22,24)
InChIKey
PQWLXDCMQKOULH-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,6-dimethylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

374.05887 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06615 188.0
[M+Na]+ 397.04809 197.2
[M-H]- 373.05159 196.9
[M+NH4]+ 392.09269 200.3
[M+K]+ 413.02203 191.3
[M+H-H2O]+ 357.05613 179.9
[M+HCOO]- 419.05707 200.3
[M+CH3COO]- 433.07272 198.6
[M+Na-2H]- 395.03354 187.5
[M]+ 374.05832 193.6
[M]- 374.05942 193.6
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