CID 2867550

306969-41-5

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CS5
InChI
InChI=1S/C23H20N2O4S/c1-2-28-17-12-10-15(11-13-17)24-22(26)19-20(18-9-6-14-30-18)25(29-21(19)23(24)27)16-7-4-3-5-8-16/h3-14,19-21H,2H2,1H3
InChIKey
ZPZGLGQNLNPWBX-UHFFFAOYSA-N
Compound name
5-(4-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

420.11438 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 199.4
[M+Na]+ 443.10360 209.1
[M-H]- 419.10710 213.1
[M+NH4]+ 438.14820 212.9
[M+K]+ 459.07754 205.3
[M+H-H2O]+ 403.11164 193.3
[M+HCOO]- 465.11258 214.9
[M+CH3COO]- 479.12823 210.3
[M+Na-2H]- 441.08905 192.8
[M]+ 420.11383 204.9
[M]- 420.11493 204.9
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.