CID 3067348

81282-54-4

Structural Information

Molecular Formula
C16H17N3O5
SMILES
C1CC(=O)N(C1=O)C2=CC3=C(C=C2)OC(=O)N3CN4CCOCC4
InChI
InChI=1S/C16H17N3O5/c20-14-3-4-15(21)19(14)11-1-2-13-12(9-11)18(16(22)24-13)10-17-5-7-23-8-6-17/h1-2,9H,3-8,10H2
InChIKey
HWELZVAKHIRUCZ-UHFFFAOYSA-N
Compound name
1-[3-(morpholin-4-ylmethyl)-2-oxo-1,3-benzoxazol-5-yl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11682 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.124096 172.9
[M+Na]+ 354.106038 181.9
[M-H]- 330.109544 181.5
[M+NH4]+ 349.150643 184.2
[M+K]+ 370.079978 180.0
[M+H-H2O]+ 314.114080 164.4
[M+HCOO]- 376.115021 188.9
[M+CH3COO]- 390.130671 184.0
[M+Na-2H]- 352.091486 172.5
[M]+ 331.11627142 174.5
[M]- 331.11736858 174.5
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.