CID 135434180

Chembl359420

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(=CCCC1(C/C(=N/O)/C2=C(O1)C=C(C=C2)O)C)C
InChI
InChI=1S/C16H21NO3/c1-11(2)5-4-8-16(3)10-14(17-19)13-7-6-12(18)9-15(13)20-16/h5-7,9,18-19H,4,8,10H2,1-3H3/b17-14-
InChIKey
LKSUZHORLKBMJC-VKAVYKQESA-N
Compound name
(4Z)-4-hydroxyimino-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 164.6
[M+Na]+ 298.141348 171.2
[M-H]- 274.144854 168.1
[M+NH4]+ 293.185953 181.9
[M+K]+ 314.115288 168.6
[M+H-H2O]+ 258.149390 158.7
[M+HCOO]- 320.150331 182.3
[M+CH3COO]- 334.165981 200.3
[M+Na-2H]- 296.126796 169.1
[M]+ 275.15158142 164.6
[M]- 275.15267858 164.6
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.