CID 377502

Nsc658986

Structural Information

Molecular Formula
C14H15N3O3
SMILES
C1=CC=C(C=C1)COCCOCC2=NC(=C(O2)N)C#N
InChI
InChI=1S/C14H15N3O3/c15-8-12-14(16)20-13(17-12)10-19-7-6-18-9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,16H2
InChIKey
VYCLCJXYEKSVNH-UHFFFAOYSA-N
Compound name
5-amino-2-(2-phenylmethoxyethoxymethyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 159.3
[M+Na]+ 296.10055 168.5
[M-H]- 272.10405 163.1
[M+NH4]+ 291.14515 172.1
[M+K]+ 312.07449 165.4
[M+H-H2O]+ 256.10859 143.9
[M+HCOO]- 318.10953 179.2
[M+CH3COO]- 332.12518 208.9
[M+Na-2H]- 294.08600 163.2
[M]+ 273.11078 157.6
[M]- 273.11188 157.6
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

No patent data available for this compound.