CID 6445005

4h-1-benzopyran-2-carboxamide, n-(3-(cyclohexylamino)propyl)-4-oxo-

Structural Information

Molecular Formula
C19H24N2O3
SMILES
C1CCC(CC1)N/C(=C/CNC(=O)C2=CCC3=CC=CC=C3O2)/O
InChI
InChI=1S/C19H24N2O3/c22-18(21-15-7-2-1-3-8-15)12-13-20-19(23)17-11-10-14-6-4-5-9-16(14)24-17/h4-6,9,11-12,15,21-22H,1-3,7-8,10,13H2,(H,20,23)/b18-12-
InChIKey
LPVCUUGWZRDANX-PDGQHHTCSA-N
Compound name
N-[(Z)-3-(cyclohexylamino)-3-hydroxyprop-2-enyl]-4H-chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 176.6
[M+Na]+ 351.167898 177.0
[M-H]- 327.171404 181.2
[M+NH4]+ 346.212503 187.7
[M+K]+ 367.141838 173.9
[M+H-H2O]+ 311.175940 167.9
[M+HCOO]- 373.176881 191.9
[M+CH3COO]- 387.192531 210.4
[M+Na-2H]- 349.153346 179.6
[M]+ 328.17813142 169.7
[M]- 328.17922858 169.7
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.