CID 51060010

Ethyl 2-benzoyl-3-((ethoxycarbonyl)amino)-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C21H20N2O5
SMILES
CCOC(=O)NC1=C(N(C2=CC=CC=C21)C(=O)OCC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H20N2O5/c1-3-27-20(25)22-17-15-12-8-9-13-16(15)23(21(26)28-4-2)18(17)19(24)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKey
DFFJVGXRVMVRIL-UHFFFAOYSA-N
Compound name
ethyl 2-benzoyl-3-(ethoxycarbonylamino)indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1372 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.144476 189.5
[M+Na]+ 403.126418 196.3
[M-H]- 379.129924 196.4
[M+NH4]+ 398.171023 202.2
[M+K]+ 419.100358 193.3
[M+H-H2O]+ 363.134460 180.5
[M+HCOO]- 425.135401 211.6
[M+CH3COO]- 439.151051 219.4
[M+Na-2H]- 401.111866 190.5
[M]+ 380.13665142 195.7
[M]- 380.13774858 195.7
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.