CID 16435438

5-(cyclopentylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C19H17N3O
SMILES
C1CCC(C1)NC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)C#N
InChI
InChI=1S/C19H17N3O/c20-12-17-19(21-14-8-2-3-9-14)23-18(22-17)16-11-5-7-13-6-1-4-10-15(13)16/h1,4-7,10-11,14,21H,2-3,8-9H2
InChIKey
ZSLSLOZNRYEQAY-UHFFFAOYSA-N
Compound name
5-(cyclopentylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13718 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.144456 173.1
[M+Na]+ 326.126398 183.9
[M-H]- 302.129904 180.5
[M+NH4]+ 321.171003 187.3
[M+K]+ 342.100338 175.5
[M+H-H2O]+ 286.134440 157.8
[M+HCOO]- 348.135381 191.9
[M+CH3COO]- 362.151031 183.1
[M+Na-2H]- 324.111846 175.1
[M]+ 303.13663142 167.8
[M]- 303.13772858 167.8
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

No patent data available for this compound.