CID 44192910

Clitocybin c

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=CC2=C(CN(C2=O)C3=CC=C(C=C3)O)C(=C1)OC
InChI
InChI=1S/C16H15NO4/c1-20-12-7-13-14(15(8-12)21-2)9-17(16(13)19)10-3-5-11(18)6-4-10/h3-8,18H,9H2,1-2H3
InChIKey
JBUWVMIJVWZMCM-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-4,6-dimethoxy-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

285.1001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 164.2
[M+Na]+ 308.08932 178.0
[M+NH4]+ 303.13392 171.8
[M+K]+ 324.06326 173.4
[M-H]- 284.09282 167.1
[M+Na-2H]- 306.07477 169.9
[M]+ 285.09955 166.9
[M]- 285.10065 166.9
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

patents stripe