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]+ 416.07964 199.2
[M+Na]+ 438.06158 212.7
[M-H]- 414.06508 210.9
[M+NH4]+ 433.10618 207.2
[M+K]+ 454.03552 205.0
[M+H-H2O]+ 398.06962 186.8
[M+HCOO]- 460.07056 215.2
[M+CH3COO]- 474.08621 210.0
[M+Na-2H]- 436.04703 202.5
[M]+ 415.07181 205.9
[M]- 415.07291 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.