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]+ 365.149576 186.3
[M+Na]+ 387.131518 190.6
[M-H]- 363.135024 191.0
[M+NH4]+ 382.176123 198.1
[M+K]+ 403.105458 186.5
[M+H-H2O]+ 347.139560 177.4
[M+HCOO]- 409.140501 205.7
[M+CH3COO]- 423.156151 214.6
[M+Na-2H]- 385.116966 187.0
[M]+ 364.14175142 188.0
[M]- 364.14284858 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.