CID 214414

Oxazole, 2-((cyclohexylamino)methyl)-4,5-diphenyl-, monohydrochloride

Structural Information

Molecular Formula
C22H24N2O
SMILES
C1CCC(CC1)NCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O/c1-4-10-17(11-5-1)21-22(18-12-6-2-7-13-18)25-20(24-21)16-23-19-14-8-3-9-15-19/h1-2,4-7,10-13,19,23H,3,8-9,14-16H2
InChIKey
KYTCWHBKSQPDCP-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.18887 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.196146 179.3
[M+Na]+ 355.178088 183.0
[M-H]- 331.181594 190.1
[M+NH4]+ 350.222693 190.7
[M+K]+ 371.152028 178.0
[M+H-H2O]+ 315.186130 168.6
[M+HCOO]- 377.187071 199.0
[M+CH3COO]- 391.202721 188.9
[M+Na-2H]- 353.163536 181.6
[M]+ 332.18832142 174.9
[M]- 332.18941858 174.9
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