CID 391445

Nsc690649

Structural Information

Molecular Formula
C17H14N2O4
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCCN3C4=CC=CC=C4OC3=O
InChI
InChI=1S/C17H14N2O4/c20-16-18(12-6-1-3-8-14(12)22-16)10-5-11-19-13-7-2-4-9-15(13)23-17(19)21/h1-4,6-9H,5,10-11H2
InChIKey
YFNAMDVTSIEUCU-UHFFFAOYSA-N
Compound name
3-[3-(2-oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 166.9
[M+Na]+ 333.08459 180.7
[M-H]- 309.08809 176.3
[M+NH4]+ 328.12919 182.3
[M+K]+ 349.05853 177.8
[M+H-H2O]+ 293.09263 159.7
[M+HCOO]- 355.09357 190.6
[M+CH3COO]- 369.10922 181.1
[M+Na-2H]- 331.07004 173.1
[M]+ 310.09482 176.9
[M]- 310.09592 177.0
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.