CID 14541502

Brn 5634611

Structural Information

Molecular Formula
C21H20N2O4
SMILES
CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C21H20N2O4/c1-2-27-21(26)18(12-14-8-4-3-5-9-14)23-20(25)19(24)16-13-22-17-11-7-6-10-15(16)17/h3-11,13,18,22H,2,12H2,1H3,(H,23,25)
InChIKey
QZIFDEQGLULDTB-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14958 186.3
[M+Na]+ 387.13152 190.6
[M-H]- 363.13502 191.0
[M+NH4]+ 382.17612 198.1
[M+K]+ 403.10546 186.5
[M+H-H2O]+ 347.13956 177.4
[M+HCOO]- 409.14050 205.7
[M+CH3COO]- 423.15615 214.6
[M+Na-2H]- 385.11697 187.0
[M]+ 364.14175 188.0
[M]- 364.14285 188.0
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.