CID 476911

Chembl6476

Structural Information

Molecular Formula
C20H20N2O5
SMILES
CC(=O)NCC1CN(C(=O)O1)C2=CC=C(C=C2)C3=CC=C(C(=O)C=C3)OC
InChI
InChI=1S/C20H20N2O5/c1-13(23)21-11-17-12-22(20(25)27-17)16-7-3-14(4-8-16)15-5-9-18(24)19(26-2)10-6-15/h3-10,17H,11-12H2,1-2H3,(H,21,23)
InChIKey
KEIVGOROUOTWOX-UHFFFAOYSA-N
Compound name
N-[[3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.1372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 185.9
[M+Na]+ 391.12642 191.2
[M-H]- 367.12992 196.4
[M+NH4]+ 386.17102 196.1
[M+K]+ 407.10036 193.8
[M+H-H2O]+ 351.13446 177.3
[M+HCOO]- 413.13540 206.0
[M+CH3COO]- 427.15105 218.2
[M+Na-2H]- 389.11187 185.0
[M]+ 368.13665 185.8
[M]- 368.13775 185.8
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