CID 2884503

301846-64-0

Structural Information

Molecular Formula
C25H22N2O4
SMILES
CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI
InChI=1S/C25H22N2O4/c1-16-8-6-7-11-20(16)27-22(17-12-14-19(30-2)15-13-17)21-23(31-27)25(29)26(24(21)28)18-9-4-3-5-10-18/h3-15,21-23H,1-2H3
InChIKey
IMBZULOOGXFZSO-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-(2-methylphenyl)-5-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

0
Patents

414.15796 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16524 199.9
[M+Na]+ 437.14718 208.5
[M-H]- 413.15068 212.6
[M+NH4]+ 432.19178 210.5
[M+K]+ 453.12112 203.7
[M+H-H2O]+ 397.15522 190.1
[M+HCOO]- 459.15616 217.4
[M+CH3COO]- 473.17181 210.0
[M+Na-2H]- 435.13263 196.0
[M]+ 414.15741 202.1
[M]- 414.15851 202.1
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.