CID 391451

Nsc690655

Structural Information

Molecular Formula
C17H23N3O4
SMILES
CN(C)CCN1C2=C(C=C(C=C2)C(=O)CN3CCOCC3)OC1=O
InChI
InChI=1S/C17H23N3O4/c1-18(2)5-6-20-14-4-3-13(11-16(14)24-17(20)22)15(21)12-19-7-9-23-10-8-19/h3-4,11H,5-10,12H2,1-2H3
InChIKey
YYNTUUXAKMKYKL-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylacetyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.16885 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17613 178.5
[M+Na]+ 356.15807 185.1
[M-H]- 332.16157 185.8
[M+NH4]+ 351.20267 189.7
[M+K]+ 372.13201 184.8
[M+H-H2O]+ 316.16611 169.2
[M+HCOO]- 378.16705 196.6
[M+CH3COO]- 392.18270 214.6
[M+Na-2H]- 354.14352 180.9
[M]+ 333.16830 182.8
[M]- 333.16940 182.8
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.