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]+ 333.19615 179.3
[M+Na]+ 355.17809 183.0
[M-H]- 331.18159 190.1
[M+NH4]+ 350.22269 190.7
[M+K]+ 371.15203 178.0
[M+H-H2O]+ 315.18613 168.6
[M+HCOO]- 377.18707 199.0
[M+CH3COO]- 391.20272 188.9
[M+Na-2H]- 353.16354 181.6
[M]+ 332.18832 174.9
[M]- 332.18942 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