CID 6509995

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

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCN(CC)CCO/N=C\1/CC(OC2=CC=CC=C12)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H28N2O2/c1-4-24(5-2)14-15-25-23-20-16-22(18-12-10-17(3)11-13-18)26-21-9-7-6-8-19(20)21/h6-13,22H,4-5,14-16H2,1-3H3/b23-20-
InChIKey
ULFHNFLEWFXXRD-ATJXCDBQSA-N
Compound name
N,N-diethyl-2-[(Z)-[2-(4-methylphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.5
[M+Na]+ 375.20432 192.8
[M-H]- 351.20782 198.1
[M+NH4]+ 370.24892 201.7
[M+K]+ 391.17826 190.5
[M+H-H2O]+ 335.21236 178.3
[M+HCOO]- 397.21330 210.6
[M+CH3COO]- 411.22895 226.2
[M+Na-2H]- 373.18977 192.3
[M]+ 352.21455 191.5
[M]- 352.21565 191.5
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.