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]+ 274.118606 159.3
[M+Na]+ 296.100548 168.5
[M-H]- 272.104054 163.1
[M+NH4]+ 291.145153 172.1
[M+K]+ 312.074488 165.4
[M+H-H2O]+ 256.108590 143.9
[M+HCOO]- 318.109531 179.2
[M+CH3COO]- 332.125181 208.9
[M+Na-2H]- 294.085996 163.2
[M]+ 273.11078142 157.6
[M]- 273.11187858 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.