CID 6180984

Nsc690952

Structural Information

Molecular Formula
C27H23N3O4
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2O)/C3NC(C(=O)O3)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C27H23N3O4/c31-24-13-7-4-10-18(24)14-22(29-25(32)17-8-2-1-3-9-17)26-30-23(27(33)34-26)15-19-16-28-21-12-6-5-11-20(19)21/h1-14,16,23,26,28,30-31H,15H2,(H,29,32)/b22-14+
InChIKey
BPPIKKPGRQGDGD-HYARGMPZSA-N
Compound name
N-[(E)-2-(2-hydroxyphenyl)-1-[4-(1H-indol-3-ylmethyl)-5-oxo-1,3-oxazolidin-2-yl]ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.16885 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17613 205.6
[M+Na]+ 476.15807 209.8
[M-H]- 452.16157 214.1
[M+NH4]+ 471.20267 211.3
[M+K]+ 492.13201 203.1
[M+H-H2O]+ 436.16611 196.1
[M+HCOO]- 498.16705 220.1
[M+CH3COO]- 512.18270 212.3
[M+Na-2H]- 474.14352 203.0
[M]+ 453.16830 202.4
[M]- 453.16940 202.4
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.