CID 55153

83823-15-8

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1C(=CC2=CC=CC=C2O1)C(=O)NCC(C3=CC=CC=C3)O
InChI
InChI=1S/C18H17NO3/c20-16(13-6-2-1-3-7-13)11-19-18(21)15-10-14-8-4-5-9-17(14)22-12-15/h1-10,16,20H,11-12H2,(H,19,21)
InChIKey
LGYVKNSGVBXEQD-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-2-phenylethyl)-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 167.5
[M+Na]+ 318.110068 172.0
[M-H]- 294.113574 173.6
[M+NH4]+ 313.154673 180.7
[M+K]+ 334.084008 169.1
[M+H-H2O]+ 278.118110 159.2
[M+HCOO]- 340.119051 186.2
[M+CH3COO]- 354.134701 202.3
[M+Na-2H]- 316.095516 173.3
[M]+ 295.12030142 166.0
[M]- 295.12139858 166.0
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.