CID 6025462

329778-18-9

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O/c20-16-8-5-14(6-9-16)7-10-19(23)21-12-11-15-13-22-18-4-2-1-3-17(15)18/h1-10,13,22H,11-12H2,(H,21,23)/b10-7+
InChIKey
FFZHSVFKAWZFSF-JXMROGBWSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.10294 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 176.6
[M+Na]+ 347.09216 185.1
[M-H]- 323.09566 181.5
[M+NH4]+ 342.13676 192.1
[M+K]+ 363.06610 176.4
[M+H-H2O]+ 307.10020 168.8
[M+HCOO]- 369.10114 194.5
[M+CH3COO]- 383.11679 187.2
[M+Na-2H]- 345.07761 180.2
[M]+ 324.10239 178.7
[M]- 324.10349 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.