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]+ 320.102976 171.3
[M+Na]+ 342.084918 183.3
[M-H]- 318.088424 179.5
[M+NH4]+ 337.129523 188.8
[M+K]+ 358.058858 179.0
[M+H-H2O]+ 302.092960 164.2
[M+HCOO]- 364.093901 190.5
[M+CH3COO]- 378.109551 183.8
[M+Na-2H]- 340.070366 171.9
[M]+ 319.09515142 176.1
[M]- 319.09624858 176.1
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.