CID 52566

73816-59-8

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)OC2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C17H16ClN3O2/c18-12-2-1-3-13(8-12)21-17(22)23-14-4-5-16-15(9-14)11(6-7-19)10-20-16/h1-5,8-10,20H,6-7,19H2,(H,21,22)
InChIKey
DUTIJWPHHLUGEX-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 174.5
[M+Na]+ 352.082318 183.4
[M-H]- 328.085824 179.7
[M+NH4]+ 347.126923 189.5
[M+K]+ 368.056258 176.3
[M+H-H2O]+ 312.090360 166.9
[M+HCOO]- 374.091301 193.5
[M+CH3COO]- 388.106951 185.4
[M+Na-2H]- 350.067766 178.3
[M]+ 329.09255142 176.9
[M]- 329.09364858 176.9
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.