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]+ 381.14448 189.5
[M+Na]+ 403.12642 196.3
[M-H]- 379.12992 196.4
[M+NH4]+ 398.17102 202.2
[M+K]+ 419.10036 193.3
[M+H-H2O]+ 363.13446 180.5
[M+HCOO]- 425.13540 211.6
[M+CH3COO]- 439.15105 219.4
[M+Na-2H]- 401.11187 190.5
[M]+ 380.13665 195.7
[M]- 380.13775 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.