CID 2859645

352665-97-5

Structural Information

Molecular Formula
C23H17BrN2O4
SMILES
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=C(C=CC(=C5)Br)O
InChI
InChI=1S/C23H17BrN2O4/c24-14-11-12-18(27)17(13-14)20-19-21(30-26(20)16-9-5-2-6-10-16)23(29)25(22(19)28)15-7-3-1-4-8-15/h1-13,19-21,27H
InChIKey
CTSDDQDYGXRWQH-UHFFFAOYSA-N
Compound name
3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.03717 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.04445 205.0
[M+Na]+ 487.02639 216.0
[M-H]- 463.02989 218.6
[M+NH4]+ 482.07099 217.0
[M+K]+ 503.00033 204.9
[M+H-H2O]+ 447.03443 203.2
[M+HCOO]- 509.03537 219.6
[M+CH3COO]- 523.05102 216.1
[M+Na-2H]- 485.01184 202.7
[M]+ 464.03662 223.3
[M]- 464.03772 223.3
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.