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]+ 308.13936 173.2
[M+Na]+ 330.12130 184.4
[M-H]- 306.12480 178.2
[M+NH4]+ 325.16590 186.1
[M+K]+ 346.09524 178.1
[M+H-H2O]+ 290.12934 157.6
[M+HCOO]- 352.13028 193.1
[M+CH3COO]- 366.14593 183.4
[M+Na-2H]- 328.10675 178.2
[M]+ 307.13153 172.8
[M]- 307.13263 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.