CID 3007281

Schembl5148408

Structural Information

Molecular Formula
C23H24Cl2N2O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C23H24Cl2N2O2/c1-13(2)17-9-6-10-18(14(3)4)21(17)19-12-20(29-27-19)15-7-5-8-16(11-15)26-23(28)22(24)25/h5-14,22H,1-4H3,(H,26,28)
InChIKey
UGTAIMYUGOYZKC-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2,6-di(propan-2-yl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

430.1215 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12878 204.5
[M+Na]+ 453.11072 211.3
[M-H]- 429.11422 213.0
[M+NH4]+ 448.15532 214.4
[M+K]+ 469.08466 205.7
[M+H-H2O]+ 413.11876 196.2
[M+HCOO]- 475.11970 213.6
[M+CH3COO]- 489.13535 230.3
[M+Na-2H]- 451.09617 199.9
[M]+ 430.12095 210.5
[M]- 430.12205 210.5
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