CID 6077518

2,3-dihydro-2-phenyl-4h-1-benzopyran-4-one o-(2-(diethylamino)ethyl)oxime

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCN(CC)CCO/N=C\1/CC(OC2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-3-23(4-2)14-15-24-22-19-16-21(17-10-6-5-7-11-17)25-20-13-9-8-12-18(19)20/h5-13,21H,3-4,14-16H2,1-2H3/b22-19-
InChIKey
LMYJPNHMAFXFBR-QOCHGBHMSA-N
Compound name
N,N-diethyl-2-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.9
[M+Na]+ 361.18865 197.0
[M+NH4]+ 356.23325 192.6
[M+K]+ 377.16259 187.9
[M-H]- 337.19215 192.1
[M+Na-2H]- 359.17410 191.6
[M]+ 338.19888 188.1
[M]- 338.19998 188.1
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.