CID 3046352

Brn 1035423

Structural Information

Molecular Formula
C18H13N3O3
SMILES
C1C(OC2=NC3=CC=CC=C3N21)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C18H13N3O3/c22-16-12-5-1-2-6-13(12)17(23)21(16)10-11-9-20-15-8-4-3-7-14(15)19-18(20)24-11/h1-8,11H,9-10H2
InChIKey
OHPVMSNHWPUREV-UHFFFAOYSA-N
Compound name
2-(1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazol-2-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10298 171.3
[M+Na]+ 342.08492 185.6
[M+NH4]+ 337.12952 179.4
[M+K]+ 358.05886 184.6
[M-H]- 318.08842 175.3
[M+Na-2H]- 340.07037 175.0
[M]+ 319.09515 174.4
[M]- 319.09625 174.4
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.