CID 5878686

Nsc697677

Structural Information

Molecular Formula
C29H28N4O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C2NC(C(=O)O2)CC3=CNC4=CC=CC=C43)/NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H28N4O3/c1-33(2)22-14-12-19(13-15-22)16-25(31-27(34)20-8-4-3-5-9-20)28-32-26(29(35)36-28)17-21-18-30-24-11-7-6-10-23(21)24/h3-16,18,26,28,30,32H,17H2,1-2H3,(H,31,34)/b25-16+
InChIKey
IFOLTTSPRPHBHQ-PCLIKHOPSA-N
Compound name
N-[(E)-2-[4-(dimethylamino)phenyl]-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

480.21616 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.22344 215.2
[M+Na]+ 503.20538 218.3
[M-H]- 479.20888 225.9
[M+NH4]+ 498.24998 220.8
[M+K]+ 519.17932 212.6
[M+H-H2O]+ 463.21342 204.7
[M+HCOO]- 525.21436 231.8
[M+CH3COO]- 539.23001 221.8
[M+Na-2H]- 501.19083 212.0
[M]+ 480.21561 213.6
[M]- 480.21671 213.6
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.