CID 3044047

Brn 1632391

Structural Information

Molecular Formula
C27H25NO7
SMILES
CCOC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC(=C3NC2=O)C)C4=CC=C(C=C4)OC(=O)OCC
InChI
InChI=1S/C27H25NO7/c1-4-32-25(30)34-20-13-9-18(10-14-20)27(22-8-6-7-17(3)23(22)28-24(27)29)19-11-15-21(16-12-19)35-26(31)33-5-2/h6-16H,4-5H2,1-3H3,(H,28,29)
InChIKey
NMWSGVRSCBTVRV-UHFFFAOYSA-N
Compound name
[4-[3-(4-ethoxycarbonyloxyphenyl)-7-methyl-2-oxo-1H-indol-3-yl]phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.16312 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.17040 213.6
[M+Na]+ 498.15234 219.9
[M-H]- 474.15584 221.9
[M+NH4]+ 493.19694 223.5
[M+K]+ 514.12628 216.5
[M+H-H2O]+ 458.16038 203.8
[M+HCOO]- 520.16132 230.6
[M+CH3COO]- 534.17697 232.0
[M+Na-2H]- 496.13779 212.3
[M]+ 475.16257 219.7
[M]- 475.16367 219.7
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.