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]+ 304.14446 173.1
[M+Na]+ 326.12640 183.9
[M-H]- 302.12990 180.5
[M+NH4]+ 321.17100 187.3
[M+K]+ 342.10034 175.5
[M+H-H2O]+ 286.13444 157.8
[M+HCOO]- 348.13538 191.9
[M+CH3COO]- 362.15103 183.1
[M+Na-2H]- 324.11185 175.1
[M]+ 303.13663 167.8
[M]- 303.13773 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.