CID 201885

7041-81-8

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1COCCN1CCC(C2=CC(=NO2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H20N2O3/c19-15(6-7-18-8-10-20-11-9-18)16-12-14(17-21-16)13-4-2-1-3-5-13/h1-5,12,15,19H,6-11H2
InChIKey
BCXHALVFCGCOOV-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 166.9
[M+Na]+ 311.13662 171.0
[M-H]- 287.14012 172.9
[M+NH4]+ 306.18122 177.2
[M+K]+ 327.11056 169.6
[M+H-H2O]+ 271.14466 157.4
[M+HCOO]- 333.14560 182.0
[M+CH3COO]- 347.16125 176.6
[M+Na-2H]- 309.12207 169.3
[M]+ 288.14685 164.9
[M]- 288.14795 164.9
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

patents stripe