CID 707574

3-(2-chlorophenyl)-n-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide

Structural Information

Molecular Formula
C18H21ClN2O2
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3CCCCCC3
InChI
InChI=1S/C18H21ClN2O2/c1-12-16(18(22)20-13-8-4-2-3-5-9-13)17(21-23-12)14-10-6-7-11-15(14)19/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,22)
InChIKey
KYOGYHKZFXHBHO-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

332.12915 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13643 179.1
[M+Na]+ 355.11837 184.2
[M-H]- 331.12187 188.3
[M+NH4]+ 350.16297 191.5
[M+K]+ 371.09231 184.1
[M+H-H2O]+ 315.12641 170.3
[M+HCOO]- 377.12735 193.4
[M+CH3COO]- 391.14300 188.8
[M+Na-2H]- 353.10382 178.7
[M]+ 332.12860 175.6
[M]- 332.12970 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.