CID 214440

2-(2-(cyclopentylamino)ethyl)-4,5-diphenyloxazole monohydrochloride

Structural Information

Molecular Formula
C22H24N2O
SMILES
C1CCC(C1)NCCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O/c1-3-9-17(10-4-1)21-22(18-11-5-2-6-12-18)25-20(24-21)15-16-23-19-13-7-8-14-19/h1-6,9-12,19,23H,7-8,13-16H2
InChIKey
ALJVWFSXLMQREW-UHFFFAOYSA-N
Compound name
N-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.18887 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.196146 178.5
[M+Na]+ 355.178088 183.0
[M-H]- 331.181594 190.0
[M+NH4]+ 350.222693 191.9
[M+K]+ 371.152028 178.3
[M+H-H2O]+ 315.186130 168.9
[M+HCOO]- 377.187071 200.6
[M+CH3COO]- 391.202721 188.9
[M+Na-2H]- 353.163536 179.0
[M]+ 332.18832142 176.6
[M]- 332.18941858 176.6
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