CID 2851454

301534-55-4

Structural Information

Molecular Formula
C24H19ClN2O4
SMILES
COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4Cl)ON2C5=CC=CC=C5
InChI
InChI=1S/C24H19ClN2O4/c1-30-17-13-11-15(12-14-17)21-20-22(31-27(21)16-7-3-2-4-8-16)24(29)26(23(20)28)19-10-6-5-9-18(19)25/h2-14,20-22H,1H3
InChIKey
KHWAVBYANPTJJF-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-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

4
Patents

434.10333 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11061 204.6
[M+Na]+ 457.09255 214.4
[M-H]- 433.09605 217.1
[M+NH4]+ 452.13715 215.2
[M+K]+ 473.06649 208.5
[M+H-H2O]+ 417.10059 194.9
[M+HCOO]- 479.10153 217.6
[M+CH3COO]- 493.11718 214.5
[M+Na-2H]- 455.07800 200.5
[M]+ 434.10278 208.8
[M]- 434.10388 208.8
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

patents stripe