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]+ 276.15941 164.6
[M+Na]+ 298.14135 171.2
[M-H]- 274.14485 168.1
[M+NH4]+ 293.18595 181.9
[M+K]+ 314.11529 168.6
[M+H-H2O]+ 258.14939 158.7
[M+HCOO]- 320.15033 182.3
[M+CH3COO]- 334.16598 200.3
[M+Na-2H]- 296.12680 169.1
[M]+ 275.15158 164.6
[M]- 275.15268 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.