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 165.4
[M+Na]+ 317.06634 173.0
[M-H]- 293.06984 167.4
[M+NH4]+ 312.11094 182.1
[M+K]+ 333.04028 168.2
[M+H-H2O]+ 277.07438 159.1
[M+HCOO]- 339.07532 182.1
[M+CH3COO]- 353.09097 199.1
[M+Na-2H]- 315.05179 168.0
[M]+ 294.07657 169.4
[M]- 294.07767 169.4
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

patents stripe