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]+ 277.191056 166.9
[M+Na]+ 299.172998 171.7
[M-H]- 275.176504 173.7
[M+NH4]+ 294.217603 183.6
[M+K]+ 315.146938 171.3
[M+H-H2O]+ 259.181040 158.7
[M+HCOO]- 321.181981 189.8
[M+CH3COO]- 335.197631 211.3
[M+Na-2H]- 297.158446 172.4
[M]+ 276.18323142 170.2
[M]- 276.18432858 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.