CID 215387

Brn 0859137

Structural Information

Molecular Formula
C23H14ClN3O3
SMILES
C1=CC=C(C=C1)C2=C(OC3=NC(=O)N(C(=O)N23)C4=CC=CC=C4Cl)C5=CC=CC=C5
InChI
InChI=1S/C23H14ClN3O3/c24-17-13-7-8-14-18(17)26-21(28)25-22-27(23(26)29)19(15-9-3-1-4-10-15)20(30-22)16-11-5-2-6-12-16/h1-14H
InChIKey
DTOOWEMLLBIFQZ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-6,7-diphenyl-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.07236 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.079636 199.2
[M+Na]+ 438.061578 212.7
[M-H]- 414.065084 210.9
[M+NH4]+ 433.106183 207.2
[M+K]+ 454.035518 205.0
[M+H-H2O]+ 398.069620 186.8
[M+HCOO]- 460.070561 215.2
[M+CH3COO]- 474.086211 210.0
[M+Na-2H]- 436.047026 202.5
[M]+ 415.07181142 205.9
[M]- 415.07290858 205.9
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.