CID 2794913

108273-71-8

Structural Information

Molecular Formula
C14H15ClN2O3
SMILES
COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCl
InChI
InChI=1S/C14H15ClN2O3/c1-20-14(19)12(17-13(18)7-15)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,12,16H,6-7H2,1H3,(H,17,18)
InChIKey
KDURQOJTVSURJA-UHFFFAOYSA-N
Compound name
methyl 2-[(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.07712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08440 164.3
[M+Na]+ 317.06634 174.9
[M+NH4]+ 312.11094 170.7
[M+K]+ 333.04028 171.3
[M-H]- 293.06984 164.3
[M+Na-2H]- 315.05179 168.1
[M]+ 294.07657 165.7
[M]- 294.07767 165.7
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

patents stripe