CID 391460

Nsc690665

Structural Information

Molecular Formula
C19H25N3O4
SMILES
C1CCN(C1)CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O
InChI
InChI=1S/C19H25N3O4/c23-17(14-21-9-11-25-12-10-21)15-3-4-16-18(13-15)26-19(24)22(16)8-7-20-5-1-2-6-20/h3-4,13H,1-2,5-12,14H2
InChIKey
KMPYSBRIMLYBNL-UHFFFAOYSA-N
Compound name
6-(2-morpholin-4-ylacetyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1845 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 183.6
[M+Na]+ 382.17372 189.0
[M-H]- 358.17722 190.9
[M+NH4]+ 377.21832 193.2
[M+K]+ 398.14766 187.1
[M+H-H2O]+ 342.18176 174.1
[M+HCOO]- 404.18270 197.3
[M+CH3COO]- 418.19835 192.8
[M+Na-2H]- 380.15917 181.8
[M]+ 359.18395 183.9
[M]- 359.18505 183.9
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

No patent data available for this compound.