CID 3118788

308101-48-6

Structural Information

Molecular Formula
C26H25N3O3
SMILES
CN(C)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5
InChI
InChI=1S/C26H25N3O3/c1-27(2)20-15-13-19(14-16-20)23-22-24(32-29(23)21-11-7-4-8-12-21)26(31)28(25(22)30)17-18-9-5-3-6-10-18/h3-16,22-24H,17H2,1-2H3
InChIKey
PFRSABFPMWBXNL-UHFFFAOYSA-N
Compound name
5-benzyl-3-[4-(dimethylamino)phenyl]-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

427.1896 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 204.2
[M+Na]+ 450.17882 210.8
[M-H]- 426.18232 217.6
[M+NH4]+ 445.22342 214.2
[M+K]+ 466.15276 206.4
[M+H-H2O]+ 410.18686 193.7
[M+HCOO]- 472.18780 222.7
[M+CH3COO]- 486.20345 213.7
[M+Na-2H]- 448.16427 200.5
[M]+ 427.18905 205.5
[M]- 427.19015 205.5
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