CID 2802737

256955-57-4

Structural Information

Molecular Formula
C25H22N2O4
SMILES
COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5
InChI
InChI=1S/C25H22N2O4/c1-30-20-14-12-18(13-15-20)22-21-23(31-27(22)19-10-6-3-7-11-19)25(29)26(24(21)28)16-17-8-4-2-5-9-17/h2-15,21-23H,16H2,1H3
InChIKey
DMRCQKATQIAHDF-UHFFFAOYSA-N
Compound name
5-benzyl-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

3
References

2
Patents

414.15796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16524 199.8
[M+Na]+ 437.14718 214.8
[M+NH4]+ 432.19178 206.9
[M+K]+ 453.12112 210.7
[M-H]- 413.15068 207.7
[M+Na-2H]- 435.13263 206.9
[M]+ 414.15741 204.2
[M]- 414.15851 204.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe