CID 131751010

Chebi:140762

Structural Information

Molecular Formula
C15H15ClN2O5
SMILES
COC(=O)CC(=O)NC(CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22)
InChIKey
ITVFBZXHWIFZDX-UHFFFAOYSA-N
Compound name
3-(4-chloro-1H-indol-3-yl)-2-[(3-methoxy-3-oxopropanoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

338.06696 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07424 173.0
[M+Na]+ 361.05618 181.8
[M+NH4]+ 356.10078 177.2
[M+K]+ 377.03012 180.5
[M-H]- 337.05968 171.0
[M+Na-2H]- 359.04163 174.5
[M]+ 338.06641 173.4
[M]- 338.06751 173.4
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.