CID 135434179

Chembl436074

Structural Information

Molecular Formula
C17H25NO3
SMILES
CCCCCCCC1(C/C(=N/O)/C2=C(O1)C=C(C=C2)O)C
InChI
InChI=1S/C17H25NO3/c1-3-4-5-6-7-10-17(2)12-15(18-20)14-9-8-13(19)11-16(14)21-17/h8-9,11,19-20H,3-7,10,12H2,1-2H3/b18-15-
InChIKey
QGIDVCWTIKGSJW-SDXDJHTJSA-N
Compound name
(4Z)-2-heptyl-4-hydroxyimino-2-methyl-3H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.18344 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 169.8
[M+Na]+ 314.17266 175.9
[M-H]- 290.17616 173.0
[M+NH4]+ 309.21726 186.6
[M+K]+ 330.14660 173.1
[M+H-H2O]+ 274.18070 163.3
[M+HCOO]- 336.18164 188.0
[M+CH3COO]- 350.19729 203.8
[M+Na-2H]- 312.15811 174.9
[M]+ 291.18289 171.6
[M]- 291.18399 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.