CID 43023

3-methyl-6-(3-morpholinopropionyl)-2-benzoxazolinone hydrochloride

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CN1C2=C(C=C(C=C2)C(=O)CCN3CCOCC3)OC1=O
InChI
InChI=1S/C15H18N2O4/c1-16-12-3-2-11(10-14(12)21-15(16)19)13(18)4-5-17-6-8-20-9-7-17/h2-3,10H,4-9H2,1H3
InChIKey
VZKMZWFIMNBBSN-UHFFFAOYSA-N
Compound name
3-methyl-6-(3-morpholin-4-ylpropanoyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 164.4
[M+Na]+ 313.11587 177.5
[M+NH4]+ 308.16047 170.8
[M+K]+ 329.08981 174.3
[M-H]- 289.11937 168.7
[M+Na-2H]- 311.10132 168.4
[M]+ 290.12610 167.3
[M]- 290.12720 167.3
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