CID 55150

83823-10-3

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1C(=CC2=CC=CC=C2O1)C(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c20-18(19-11-10-14-6-2-1-3-7-14)16-12-15-8-4-5-9-17(15)21-13-16/h1-9,12H,10-11,13H2,(H,19,20)
InChIKey
DFFJXEMYKJFSGW-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 164.2
[M+Na]+ 302.115138 169.6
[M-H]- 278.118644 171.6
[M+NH4]+ 297.159743 178.9
[M+K]+ 318.089078 166.2
[M+H-H2O]+ 262.123180 155.6
[M+HCOO]- 324.124121 185.3
[M+CH3COO]- 338.139771 175.4
[M+Na-2H]- 300.100586 171.5
[M]+ 279.12537142 163.6
[M]- 279.12646858 163.6
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.