CID 6445005

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

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]+ 329.18596 176.6
[M+Na]+ 351.16790 177.0
[M-H]- 327.17140 181.2
[M+NH4]+ 346.21250 187.7
[M+K]+ 367.14184 173.9
[M+H-H2O]+ 311.17594 167.9
[M+HCOO]- 373.17688 191.9
[M+CH3COO]- 387.19253 210.4
[M+Na-2H]- 349.15335 179.6
[M]+ 328.17813 169.7
[M]- 328.17923 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.