CID 391450

Nsc690654

Structural Information

Molecular Formula
C20H27N3O4
SMILES
C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O
InChI
InChI=1S/C20H27N3O4/c24-18(15-22-10-12-26-13-11-22)16-4-5-17-19(14-16)27-20(25)23(17)9-8-21-6-2-1-3-7-21/h4-5,14H,1-3,6-13,15H2
InChIKey
HNPIAWCWTUFGDS-UHFFFAOYSA-N
Compound name
6-(2-morpholin-4-ylacetyl)-3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.20016 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20744 189.1
[M+Na]+ 396.18938 193.2
[M-H]- 372.19288 195.4
[M+NH4]+ 391.23398 195.9
[M+K]+ 412.16332 190.7
[M+H-H2O]+ 356.19742 177.8
[M+HCOO]- 418.19836 200.0
[M+CH3COO]- 432.21401 196.8
[M+Na-2H]- 394.17483 188.6
[M]+ 373.19961 187.2
[M]- 373.20071 187.2
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.