CID 6914392

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

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCN(CC)CCO/N=C\1/CC(OC2=CC=CC=C12)C
InChI
InChI=1S/C16H24N2O2/c1-4-18(5-2)10-11-19-17-15-12-13(3)20-16-9-7-6-8-14(15)16/h6-9,13H,4-5,10-12H2,1-3H3/b17-15-
InChIKey
PVKKMFVKXHKHCC-ICFOKQHNSA-N
Compound name
N,N-diethyl-2-[(Z)-(2-methyl-2,3-dihydrochromen-4-ylidene)amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 166.9
[M+Na]+ 299.17300 171.7
[M-H]- 275.17650 173.7
[M+NH4]+ 294.21760 183.6
[M+K]+ 315.14694 171.3
[M+H-H2O]+ 259.18104 158.7
[M+HCOO]- 321.18198 189.8
[M+CH3COO]- 335.19763 211.3
[M+Na-2H]- 297.15845 172.4
[M]+ 276.18323 170.2
[M]- 276.18433 170.2
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.