CID 2011542

5-[(3-methoxypropyl)amino]-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C18H17N3O2
SMILES
COCCCNC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C18H17N3O2/c1-22-11-5-10-20-18-16(12-19)21-17(23-18)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,20H,5,10-11H2,1H3
InChIKey
CNGINRITOIXJRD-UHFFFAOYSA-N
Compound name
5-(3-methoxypropylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13208 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.139356 173.2
[M+Na]+ 330.121298 184.4
[M-H]- 306.124804 178.2
[M+NH4]+ 325.165903 186.1
[M+K]+ 346.095238 178.1
[M+H-H2O]+ 290.129340 157.6
[M+HCOO]- 352.130281 193.1
[M+CH3COO]- 366.145931 183.4
[M+Na-2H]- 328.106746 178.2
[M]+ 307.13153142 172.8
[M]- 307.13262858 172.8
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.