CID 6509996

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

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCN(CC)CCO/N=C\1/CC(OC2=CC=CC=C12)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H28N2O3/c1-4-24(5-2)14-15-26-23-20-16-22(17-10-12-18(25-3)13-11-17)27-21-9-7-6-8-19(20)21/h6-13,22H,4-5,14-16H2,1-3H3/b23-20-
InChIKey
AWVZVRSNJDHHGY-ATJXCDBQSA-N
Compound name
N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.3
[M+Na]+ 391.19922 204.0
[M+NH4]+ 386.24382 199.2
[M+K]+ 407.17316 195.5
[M-H]- 367.20272 198.9
[M+Na-2H]- 389.18467 198.0
[M]+ 368.20945 195.3
[M]- 368.21055 195.3
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.