CID 36291

32959-58-3

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCN(CC)CCOC1=CC=CC=C1C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C19H22N2O2/c1-3-21(4-2)13-14-22-17-11-7-5-9-15(17)19-20-16-10-6-8-12-18(16)23-19/h5-12H,3-4,13-14H2,1-2H3
InChIKey
XTBXCUINWTYKRX-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzoxazol-2-yl)phenoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 174.5
[M+Na]+ 333.15734 182.3
[M-H]- 309.16084 182.9
[M+NH4]+ 328.20194 189.7
[M+K]+ 349.13128 179.7
[M+H-H2O]+ 293.16538 165.3
[M+HCOO]- 355.16632 198.8
[M+CH3COO]- 369.18197 211.4
[M+Na-2H]- 331.14279 180.0
[M]+ 310.16757 181.4
[M]- 310.16867 181.4
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.