CID 3007282

Schembl5152990

Structural Information

Molecular Formula
C23H16Cl2N2O2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl
InChI
InChI=1S/C23H16Cl2N2O2/c24-22(25)23(28)26-17-10-6-9-16(13-17)21-14-20(27-29-21)19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-14,22H,(H,26,28)
InChIKey
PZWYPNRTWHKINQ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-phenylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

422.05887 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.06615 200.1
[M+Na]+ 445.04809 207.8
[M-H]- 421.05159 211.3
[M+NH4]+ 440.09269 209.4
[M+K]+ 461.02203 201.0
[M+H-H2O]+ 405.05613 190.1
[M+HCOO]- 467.05707 212.1
[M+CH3COO]- 481.07272 209.4
[M+Na-2H]- 443.03354 200.3
[M]+ 422.05832 204.3
[M]- 422.05942 204.3
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