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 183.3
[M-H]- 318.08842 179.5
[M+NH4]+ 337.12952 188.8
[M+K]+ 358.05886 179.0
[M+H-H2O]+ 302.09296 164.2
[M+HCOO]- 364.09390 190.5
[M+CH3COO]- 378.10955 183.8
[M+Na-2H]- 340.07037 171.9
[M]+ 319.09515 176.1
[M]- 319.09625 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.